2025-09-02T15:59:22,774 Created temporary directory: /tmp/pip-build-tracker-7by9rejx 2025-09-02T15:59:22,775 Initialized build tracking at /tmp/pip-build-tracker-7by9rejx 2025-09-02T15:59:22,775 Created build tracker: /tmp/pip-build-tracker-7by9rejx 2025-09-02T15:59:22,776 Entered build tracker: /tmp/pip-build-tracker-7by9rejx 2025-09-02T15:59:22,777 Created temporary directory: /tmp/pip-wheel-iw49cyar 2025-09-02T15:59:22,781 Created temporary directory: /tmp/pip-ephem-wheel-cache-77t8z2xn 2025-09-02T15:59:22,832 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-09-02T15:59:22,834 2 location(s) to search for versions of streamd: 2025-09-02T15:59:22,834 * https://pypi.org/simple/streamd/ 2025-09-02T15:59:22,834 * https://www.piwheels.org/simple/streamd/ 2025-09-02T15:59:22,835 Fetching project page and analyzing links: https://pypi.org/simple/streamd/ 2025-09-02T15:59:22,836 Getting page https://pypi.org/simple/streamd/ 2025-09-02T15:59:22,837 Found index url https://pypi.org/simple/ 2025-09-02T15:59:23,066 Fetched page https://pypi.org/simple/streamd/ as application/vnd.pypi.simple.v1+json 2025-09-02T15:59:23,072 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 2025-09-02T15:59:23,074 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 2025-09-02T15:59:23,075 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) 2025-09-02T15:59:23,076 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 2025-09-02T15:59:23,077 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) 2025-09-02T15:59:23,078 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 2025-09-02T15:59:23,079 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) 2025-09-02T15:59:23,080 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 2025-09-02T15:59:23,082 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) 2025-09-02T15:59:23,083 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 2025-09-02T15:59:23,084 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) 2025-09-02T15:59:23,085 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 2025-09-02T15:59:23,085 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) 2025-09-02T15:59:23,086 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 2025-09-02T15:59:23,087 Fetching project page and analyzing links: https://www.piwheels.org/simple/streamd/ 2025-09-02T15:59:23,088 Getting page https://www.piwheels.org/simple/streamd/ 2025-09-02T15:59:23,089 Found index url https://www.piwheels.org/simple/ 2025-09-02T15:59:23,270 Fetched page https://www.piwheels.org/simple/streamd/ as text/html 2025-09-02T15:59:23,273 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) 2025-09-02T15:59:23,274 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) 2025-09-02T15:59:23,274 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) 2025-09-02T15:59:23,275 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) 2025-09-02T15:59:23,275 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) 2025-09-02T15:59:23,276 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) 2025-09-02T15:59:23,277 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) 2025-09-02T15:59:23,277 Skipping link: not a file: https://www.piwheels.org/simple/streamd/ 2025-09-02T15:59:23,278 Skipping link: not a file: https://pypi.org/simple/streamd/ 2025-09-02T15:59:23,303 Given no hashes to check 1 links for project 'streamd': discarding no candidates 2025-09-02T15:59:23,306 Collecting streamd==0.4 2025-09-02T15:59:23,308 Created temporary directory: /tmp/pip-unpack-n8555miy 2025-09-02T15:59:23,532 Downloading streamd-0.4.tar.gz (201 kB) 2025-09-02T15:59:23,804 Added streamd==0.4 from https://files.pythonhosted.org/packages/bd/90/bae892ae6c75b409a16281d5d0c5f3cb6d68711e349160cf6a277e6ac164/streamd-0.4.tar.gz to build tracker '/tmp/pip-build-tracker-7by9rejx' 2025-09-02T15:59:23,806 Running setup.py (path:/tmp/pip-wheel-iw49cyar/streamd_3edb0fbbceaf43a1983fcb1073aa2581/setup.py) egg_info for package streamd 2025-09-02T15:59:23,807 Created temporary directory: /tmp/pip-pip-egg-info-hd2jjzyf 2025-09-02T15:59:23,808 Preparing metadata (setup.py): started 2025-09-02T15:59:23,810 Running command python setup.py egg_info 2025-09-02T15:59:24,934 running egg_info 2025-09-02T15:59:24,963 creating /tmp/pip-pip-egg-info-hd2jjzyf/streamd.egg-info 2025-09-02T15:59:24,964 writing /tmp/pip-pip-egg-info-hd2jjzyf/streamd.egg-info/PKG-INFO 2025-09-02T15:59:24,969 writing dependency_links to /tmp/pip-pip-egg-info-hd2jjzyf/streamd.egg-info/dependency_links.txt 2025-09-02T15:59:24,970 writing entry points to /tmp/pip-pip-egg-info-hd2jjzyf/streamd.egg-info/entry_points.txt 2025-09-02T15:59:24,972 writing requirements to /tmp/pip-pip-egg-info-hd2jjzyf/streamd.egg-info/requires.txt 2025-09-02T15:59:24,973 writing top-level names to /tmp/pip-pip-egg-info-hd2jjzyf/streamd.egg-info/top_level.txt 2025-09-02T15:59:24,975 writing manifest file '/tmp/pip-pip-egg-info-hd2jjzyf/streamd.egg-info/SOURCES.txt' 2025-09-02T15:59:25,075 reading manifest file '/tmp/pip-pip-egg-info-hd2jjzyf/streamd.egg-info/SOURCES.txt' 2025-09-02T15:59:25,077 reading manifest template 'MANIFEST.in' 2025-09-02T15:59:25,082 adding license file 'LICENSE.txt' 2025-09-02T15:59:25,086 writing manifest file '/tmp/pip-pip-egg-info-hd2jjzyf/streamd.egg-info/SOURCES.txt' 2025-09-02T15:59:25,190 Preparing metadata (setup.py): finished with status 'done' 2025-09-02T15:59:25,196 Source in /tmp/pip-wheel-iw49cyar/streamd_3edb0fbbceaf43a1983fcb1073aa2581 has version 0.4, which satisfies requirement streamd==0.4 from https://files.pythonhosted.org/packages/bd/90/bae892ae6c75b409a16281d5d0c5f3cb6d68711e349160cf6a277e6ac164/streamd-0.4.tar.gz 2025-09-02T15:59:25,197 Removed streamd==0.4 from https://files.pythonhosted.org/packages/bd/90/bae892ae6c75b409a16281d5d0c5f3cb6d68711e349160cf6a277e6ac164/streamd-0.4.tar.gz from build tracker '/tmp/pip-build-tracker-7by9rejx' 2025-09-02T15:59:25,207 Created temporary directory: /tmp/pip-unpack-dtoh6pru 2025-09-02T15:59:25,208 Created temporary directory: /tmp/pip-unpack-5ea5lfdk 2025-09-02T15:59:25,209 Building wheels for collected packages: streamd 2025-09-02T15:59:25,213 Created temporary directory: /tmp/pip-wheel-rtum93wu 2025-09-02T15:59:25,214 DEPRECATION: Building 'streamd' using the legacy setup.py bdist_wheel mechanism, which will be removed in a future version. pip 25.3 will enforce this behaviour change. A possible replacement is to use the standardized build interface by setting the `--use-pep517` option, (possibly combined with `--no-build-isolation`), or adding a `pyproject.toml` file to the source tree of 'streamd'. Discussion can be found at https://github.com/pypa/pip/issues/6334 2025-09-02T15:59:25,216 Building wheel for streamd (setup.py): started 2025-09-02T15:59:25,217 Destination directory: /tmp/pip-wheel-rtum93wu 2025-09-02T15:59:25,218 Running command python setup.py bdist_wheel 2025-09-02T15:59:26,077 running bdist_wheel 2025-09-02T15:59:26,214 running build 2025-09-02T15:59:26,215 running build_py 2025-09-02T15:59:26,246 creating build/lib/streamd 2025-09-02T15:59:26,248 copying streamd/run_gbsa.py -> build/lib/streamd 2025-09-02T15:59:26,251 copying streamd/run_md.py -> build/lib/streamd 2025-09-02T15:59:26,256 copying streamd/__init__.py -> build/lib/streamd 2025-09-02T15:59:26,258 creating build/lib/streamd/analysis 2025-09-02T15:59:26,259 copying streamd/analysis/md_system_analysis.py -> build/lib/streamd/analysis 2025-09-02T15:59:26,261 copying streamd/analysis/plot_build.py -> build/lib/streamd/analysis 2025-09-02T15:59:26,264 copying streamd/analysis/run_analysis.py -> build/lib/streamd/analysis 2025-09-02T15:59:26,266 copying streamd/analysis/xvg2png.py -> build/lib/streamd/analysis 2025-09-02T15:59:26,269 copying streamd/analysis/__init__.py -> build/lib/streamd/analysis 2025-09-02T15:59:26,271 creating build/lib/streamd/tests 2025-09-02T15:59:26,272 copying streamd/tests/analysis_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,275 copying streamd/tests/conftest.py -> build/lib/streamd/tests 2025-09-02T15:59:26,278 copying streamd/tests/decomp_dat_parser_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,280 copying streamd/tests/system_name_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,282 copying streamd/tests/config_cli_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,285 copying streamd/tests/md_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,287 copying streamd/tests/plot_build_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,289 copying streamd/tests/import_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,291 copying streamd/tests/preparation_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,293 copying streamd/tests/__init__.py -> build/lib/streamd/tests 2025-09-02T15:59:26,295 copying streamd/tests/prolif_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,298 copying streamd/tests/gbsa_test.py -> build/lib/streamd/tests 2025-09-02T15:59:26,301 creating build/lib/streamd/preparation 2025-09-02T15:59:26,302 copying streamd/preparation/md_files_preparation.py -> build/lib/streamd/preparation 2025-09-02T15:59:26,305 copying streamd/preparation/complex_preparation.py -> build/lib/streamd/preparation 2025-09-02T15:59:26,307 copying streamd/preparation/mcpbpy_preparation.py -> build/lib/streamd/preparation 2025-09-02T15:59:26,310 copying streamd/preparation/__init__.py -> build/lib/streamd/preparation 2025-09-02T15:59:26,312 copying streamd/preparation/ligand_preparation.py -> build/lib/streamd/preparation 2025-09-02T15:59:26,315 copying streamd/preparation/nonstandard_solvent_preparation.py -> build/lib/streamd/preparation 2025-09-02T15:59:26,317 creating build/lib/streamd/mcpbpy_md 2025-09-02T15:59:26,318 copying streamd/mcpbpy_md/mcbpy_md.py -> build/lib/streamd/mcpbpy_md 2025-09-02T15:59:26,321 copying streamd/mcpbpy_md/__init__.py -> build/lib/streamd/mcpbpy_md 2025-09-02T15:59:26,324 creating build/lib/streamd/scripts 2025-09-02T15:59:26,325 copying streamd/scripts/pmed_amb2gmx.py -> build/lib/streamd/scripts 2025-09-02T15:59:26,328 copying streamd/scripts/mol2_fix_coordsbonds.py -> build/lib/streamd/scripts 2025-09-02T15:59:26,330 copying streamd/scripts/pdb2mol.py -> build/lib/streamd/scripts 2025-09-02T15:59:26,333 copying streamd/scripts/getcharge.py -> build/lib/streamd/scripts 2025-09-02T15:59:26,334 copying streamd/scripts/prepare_Gaussian_input.py -> build/lib/streamd/scripts 2025-09-02T15:59:26,337 copying streamd/scripts/__init__.py -> build/lib/streamd/scripts 2025-09-02T15:59:26,339 creating build/lib/streamd/utils 2025-09-02T15:59:26,340 copying streamd/utils/utils.py -> build/lib/streamd/utils 2025-09-02T15:59:26,343 copying streamd/utils/__init__.py -> build/lib/streamd/utils 2025-09-02T15:59:26,345 copying streamd/utils/dask_init.py -> build/lib/streamd/utils 2025-09-02T15:59:26,348 creating build/lib/streamd/prolif 2025-09-02T15:59:26,349 copying streamd/prolif/run_prolif.py -> build/lib/streamd/prolif 2025-09-02T15:59:26,352 copying streamd/prolif/prolif2png.py -> build/lib/streamd/prolif 2025-09-02T15:59:26,355 copying streamd/prolif/prolif_frame_map.py -> build/lib/streamd/prolif 2025-09-02T15:59:26,357 copying streamd/prolif/__init__.py -> build/lib/streamd/prolif 2025-09-02T15:59:26,359 running egg_info 2025-09-02T15:59:26,391 writing streamd.egg-info/PKG-INFO 2025-09-02T15:59:26,397 writing dependency_links to streamd.egg-info/dependency_links.txt 2025-09-02T15:59:26,399 writing entry points to streamd.egg-info/entry_points.txt 2025-09-02T15:59:26,401 writing requirements to streamd.egg-info/requires.txt 2025-09-02T15:59:26,402 writing top-level names to streamd.egg-info/top_level.txt 2025-09-02T15:59:26,442 reading manifest file 'streamd.egg-info/SOURCES.txt' 2025-09-02T15:59:26,449 reading manifest template 'MANIFEST.in' 2025-09-02T15:59:26,452 adding license file 'LICENSE.txt' 2025-09-02T15:59:26,458 writing manifest file 'streamd.egg-info/SOURCES.txt' 2025-09-02T15:59:26,460 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'streamd.example' is absent from the `packages` configuration. 2025-09-02T15:59:26,461 !! 2025-09-02T15:59:26,462 ******************************************************************************** 2025-09-02T15:59:26,462 ############################ 2025-09-02T15:59:26,463 # Package would be ignored # 2025-09-02T15:59:26,463 ############################ 2025-09-02T15:59:26,464 Python recognizes 'streamd.example' as an importable package[^1], 2025-09-02T15:59:26,464 but it is absent from setuptools' `packages` configuration. 2025-09-02T15:59:26,465 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-02T15:59:26,465 package, please make sure that 'streamd.example' is explicitly added 2025-09-02T15:59:26,466 to the `packages` configuration field. 2025-09-02T15:59:26,467 Alternatively, you can also rely on setuptools' discovery methods 2025-09-02T15:59:26,467 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-02T15:59:26,468 instead of `find_packages(...)`/`find:`). 2025-09-02T15:59:26,469 You can read more about "package discovery" on setuptools documentation page: 2025-09-02T15:59:26,470 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-02T15:59:26,471 If you don't want 'streamd.example' to be distributed and are 2025-09-02T15:59:26,471 already explicitly excluding 'streamd.example' via 2025-09-02T15:59:26,472 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-02T15:59:26,472 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-02T15:59:26,473 combination with a more fine grained `package-data` configuration. 2025-09-02T15:59:26,473 You can read more about "package data files" on setuptools documentation page: 2025-09-02T15:59:26,474 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-02T15:59:26,476 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-02T15:59:26,476 even if it does not contain any `.py` files. 2025-09-02T15:59:26,477 On the other hand, currently there is no concept of package data 2025-09-02T15:59:26,477 directory, all directories are treated like packages. 2025-09-02T15:59:26,478 ******************************************************************************** 2025-09-02T15:59:26,479 !! 2025-09-02T15:59:26,480 check.warn(importable) 2025-09-02T15:59:26,483 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'streamd.scripts.com' is absent from the `packages` configuration. 2025-09-02T15:59:26,484 !! 2025-09-02T15:59:26,485 ******************************************************************************** 2025-09-02T15:59:26,486 ############################ 2025-09-02T15:59:26,486 # Package would be ignored # 2025-09-02T15:59:26,487 ############################ 2025-09-02T15:59:26,487 Python recognizes 'streamd.scripts.com' as an importable package[^1], 2025-09-02T15:59:26,488 but it is absent from setuptools' `packages` configuration. 2025-09-02T15:59:26,489 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-02T15:59:26,489 package, please make sure that 'streamd.scripts.com' is explicitly added 2025-09-02T15:59:26,490 to the `packages` configuration field. 2025-09-02T15:59:26,491 Alternatively, you can also rely on setuptools' discovery methods 2025-09-02T15:59:26,492 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-02T15:59:26,492 instead of `find_packages(...)`/`find:`). 2025-09-02T15:59:26,493 You can read more about "package discovery" on setuptools documentation page: 2025-09-02T15:59:26,494 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-02T15:59:26,496 If you don't want 'streamd.scripts.com' to be distributed and are 2025-09-02T15:59:26,496 already explicitly excluding 'streamd.scripts.com' via 2025-09-02T15:59:26,496 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-02T15:59:26,497 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-02T15:59:26,497 combination with a more fine grained `package-data` configuration. 2025-09-02T15:59:26,498 You can read more about "package data files" on setuptools documentation page: 2025-09-02T15:59:26,499 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-02T15:59:26,500 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-02T15:59:26,501 even if it does not contain any `.py` files. 2025-09-02T15:59:26,501 On the other hand, currently there is no concept of package data 2025-09-02T15:59:26,502 directory, all directories are treated like packages. 2025-09-02T15:59:26,502 ******************************************************************************** 2025-09-02T15:59:26,503 !! 2025-09-02T15:59:26,503 check.warn(importable) 2025-09-02T15:59:26,504 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'streamd.scripts.gbsa' is absent from the `packages` configuration. 2025-09-02T15:59:26,504 !! 2025-09-02T15:59:26,505 ******************************************************************************** 2025-09-02T15:59:26,506 ############################ 2025-09-02T15:59:26,506 # Package would be ignored # 2025-09-02T15:59:26,507 ############################ 2025-09-02T15:59:26,507 Python recognizes 'streamd.scripts.gbsa' as an importable package[^1], 2025-09-02T15:59:26,508 but it is absent from setuptools' `packages` configuration. 2025-09-02T15:59:26,509 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-02T15:59:26,509 package, please make sure that 'streamd.scripts.gbsa' is explicitly added 2025-09-02T15:59:26,510 to the `packages` configuration field. 2025-09-02T15:59:26,511 Alternatively, you can also rely on setuptools' discovery methods 2025-09-02T15:59:26,511 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-02T15:59:26,512 instead of `find_packages(...)`/`find:`). 2025-09-02T15:59:26,513 You can read more about "package discovery" on setuptools documentation page: 2025-09-02T15:59:26,514 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-02T15:59:26,515 If you don't want 'streamd.scripts.gbsa' to be distributed and are 2025-09-02T15:59:26,516 already explicitly excluding 'streamd.scripts.gbsa' via 2025-09-02T15:59:26,516 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-02T15:59:26,517 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-02T15:59:26,517 combination with a more fine grained `package-data` configuration. 2025-09-02T15:59:26,518 You can read more about "package data files" on setuptools documentation page: 2025-09-02T15:59:26,519 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-02T15:59:26,521 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-02T15:59:26,521 even if it does not contain any `.py` files. 2025-09-02T15:59:26,522 On the other hand, currently there is no concept of package data 2025-09-02T15:59:26,522 directory, all directories are treated like packages. 2025-09-02T15:59:26,523 ******************************************************************************** 2025-09-02T15:59:26,524 !! 2025-09-02T15:59:26,525 check.warn(importable) 2025-09-02T15:59:26,525 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'streamd.scripts.mcpbpy_scripts' is absent from the `packages` configuration. 2025-09-02T15:59:26,526 !! 2025-09-02T15:59:26,526 ******************************************************************************** 2025-09-02T15:59:26,527 ############################ 2025-09-02T15:59:26,527 # Package would be ignored # 2025-09-02T15:59:26,528 ############################ 2025-09-02T15:59:26,528 Python recognizes 'streamd.scripts.mcpbpy_scripts' as an importable package[^1], 2025-09-02T15:59:26,529 but it is absent from setuptools' `packages` configuration. 2025-09-02T15:59:26,529 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-02T15:59:26,530 package, please make sure that 'streamd.scripts.mcpbpy_scripts' is explicitly added 2025-09-02T15:59:26,530 to the `packages` configuration field. 2025-09-02T15:59:26,531 Alternatively, you can also rely on setuptools' discovery methods 2025-09-02T15:59:26,532 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-02T15:59:26,532 instead of `find_packages(...)`/`find:`). 2025-09-02T15:59:26,533 You can read more about "package discovery" on setuptools documentation page: 2025-09-02T15:59:26,534 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-02T15:59:26,535 If you don't want 'streamd.scripts.mcpbpy_scripts' to be distributed and are 2025-09-02T15:59:26,536 already explicitly excluding 'streamd.scripts.mcpbpy_scripts' via 2025-09-02T15:59:26,536 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-02T15:59:26,537 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-02T15:59:26,537 combination with a more fine grained `package-data` configuration. 2025-09-02T15:59:26,538 You can read more about "package data files" on setuptools documentation page: 2025-09-02T15:59:26,539 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-02T15:59:26,541 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-02T15:59:26,541 even if it does not contain any `.py` files. 2025-09-02T15:59:26,542 On the other hand, currently there is no concept of package data 2025-09-02T15:59:26,542 directory, all directories are treated like packages. 2025-09-02T15:59:26,543 ******************************************************************************** 2025-09-02T15:59:26,544 !! 2025-09-02T15:59:26,544 check.warn(importable) 2025-09-02T15:59:26,545 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'streamd.scripts.mdp' is absent from the `packages` configuration. 2025-09-02T15:59:26,545 !! 2025-09-02T15:59:26,546 ******************************************************************************** 2025-09-02T15:59:26,547 ############################ 2025-09-02T15:59:26,547 # Package would be ignored # 2025-09-02T15:59:26,548 ############################ 2025-09-02T15:59:26,548 Python recognizes 'streamd.scripts.mdp' as an importable package[^1], 2025-09-02T15:59:26,549 but it is absent from setuptools' `packages` configuration. 2025-09-02T15:59:26,550 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-02T15:59:26,550 package, please make sure that 'streamd.scripts.mdp' is explicitly added 2025-09-02T15:59:26,551 to the `packages` configuration field. 2025-09-02T15:59:26,552 Alternatively, you can also rely on setuptools' discovery methods 2025-09-02T15:59:26,553 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-02T15:59:26,554 instead of `find_packages(...)`/`find:`). 2025-09-02T15:59:26,555 You can read more about "package discovery" on setuptools documentation page: 2025-09-02T15:59:26,556 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-02T15:59:26,556 If you don't want 'streamd.scripts.mdp' to be distributed and are 2025-09-02T15:59:26,557 already explicitly excluding 'streamd.scripts.mdp' via 2025-09-02T15:59:26,557 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-02T15:59:26,558 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-02T15:59:26,558 combination with a more fine grained `package-data` configuration. 2025-09-02T15:59:26,559 You can read more about "package data files" on setuptools documentation page: 2025-09-02T15:59:26,560 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-02T15:59:26,562 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-02T15:59:26,562 even if it does not contain any `.py` files. 2025-09-02T15:59:26,563 On the other hand, currently there is no concept of package data 2025-09-02T15:59:26,563 directory, all directories are treated like packages. 2025-09-02T15:59:26,564 ******************************************************************************** 2025-09-02T15:59:26,565 !! 2025-09-02T15:59:26,565 check.warn(importable) 2025-09-02T15:59:26,566 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'streamd.scripts.script_sh' is absent from the `packages` configuration. 2025-09-02T15:59:26,567 !! 2025-09-02T15:59:26,568 ******************************************************************************** 2025-09-02T15:59:26,568 ############################ 2025-09-02T15:59:26,569 # Package would be ignored # 2025-09-02T15:59:26,569 ############################ 2025-09-02T15:59:26,570 Python recognizes 'streamd.scripts.script_sh' as an importable package[^1], 2025-09-02T15:59:26,570 but it is absent from setuptools' `packages` configuration. 2025-09-02T15:59:26,571 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-02T15:59:26,572 package, please make sure that 'streamd.scripts.script_sh' is explicitly added 2025-09-02T15:59:26,572 to the `packages` configuration field. 2025-09-02T15:59:26,574 Alternatively, you can also rely on setuptools' discovery methods 2025-09-02T15:59:26,574 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-02T15:59:26,575 instead of `find_packages(...)`/`find:`). 2025-09-02T15:59:26,576 You can read more about "package discovery" on setuptools documentation page: 2025-09-02T15:59:26,577 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-02T15:59:26,578 If you don't want 'streamd.scripts.script_sh' to be distributed and are 2025-09-02T15:59:26,579 already explicitly excluding 'streamd.scripts.script_sh' via 2025-09-02T15:59:26,579 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-02T15:59:26,580 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-02T15:59:26,581 combination with a more fine grained `package-data` configuration. 2025-09-02T15:59:26,582 You can read more about "package data files" on setuptools documentation page: 2025-09-02T15:59:26,583 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-02T15:59:26,585 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-02T15:59:26,586 even if it does not contain any `.py` files. 2025-09-02T15:59:26,586 On the other hand, currently there is no concept of package data 2025-09-02T15:59:26,587 directory, all directories are treated like packages. 2025-09-02T15:59:26,588 ******************************************************************************** 2025-09-02T15:59:26,589 !! 2025-09-02T15:59:26,590 check.warn(importable) 2025-09-02T15:59:26,591 creating build/lib/streamd/example 2025-09-02T15:59:26,591 copying streamd/example/instructions.txt -> build/lib/streamd/example 2025-09-02T15:59:26,592 copying streamd/example/ligand.mol -> build/lib/streamd/example 2025-09-02T15:59:26,592 copying streamd/example/protein_HIS.pdb -> build/lib/streamd/example 2025-09-02T15:59:26,593 copying streamd/scripts/tleap.in -> build/lib/streamd/scripts 2025-09-02T15:59:26,593 creating build/lib/streamd/scripts/com 2025-09-02T15:59:26,594 copying streamd/scripts/com/1.com -> build/lib/streamd/scripts/com 2025-09-02T15:59:26,594 copying streamd/scripts/com/2.com -> build/lib/streamd/scripts/com 2025-09-02T15:59:26,594 copying streamd/scripts/com/3.com -> build/lib/streamd/scripts/com 2025-09-02T15:59:26,595 creating build/lib/streamd/scripts/gbsa 2025-09-02T15:59:26,595 copying streamd/scripts/gbsa/mmpbsa.in -> build/lib/streamd/scripts/gbsa 2025-09-02T15:59:26,596 creating build/lib/streamd/scripts/mcpbpy_scripts 2025-09-02T15:59:26,597 copying streamd/scripts/mcpbpy_scripts/protein.in -> build/lib/streamd/scripts/mcpbpy_scripts 2025-09-02T15:59:26,597 creating build/lib/streamd/scripts/mdp 2025-09-02T15:59:26,598 copying streamd/scripts/mdp/ions.mdp -> build/lib/streamd/scripts/mdp 2025-09-02T15:59:26,598 copying streamd/scripts/mdp/md.mdp -> build/lib/streamd/scripts/mdp 2025-09-02T15:59:26,599 copying streamd/scripts/mdp/minim.mdp -> build/lib/streamd/scripts/mdp 2025-09-02T15:59:26,599 copying streamd/scripts/mdp/npt.mdp -> build/lib/streamd/scripts/mdp 2025-09-02T15:59:26,600 copying streamd/scripts/mdp/nvt.mdp -> build/lib/streamd/scripts/mdp 2025-09-02T15:59:26,601 creating build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,601 copying streamd/scripts/script_sh/continue_md.sh -> build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,602 copying streamd/scripts/script_sh/equlibration.sh -> build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,603 copying streamd/scripts/script_sh/ligand_mol2prep.sh -> build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,603 copying streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh -> build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,604 copying streamd/scripts/script_sh/ligand_prep.sh -> build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,605 copying streamd/scripts/script_sh/md.sh -> build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,605 copying streamd/scripts/script_sh/md_analysis.sh -> build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,606 copying streamd/scripts/script_sh/md_ligand_analysis.sh -> build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,607 copying streamd/scripts/script_sh/solv_ions.sh -> build/lib/streamd/scripts/script_sh 2025-09-02T15:59:26,607 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2025-09-02T15:59:26,608 !! 2025-09-02T15:59:26,609 ******************************************************************************** 2025-09-02T15:59:26,610 Please avoid running ``setup.py`` directly. 2025-09-02T15:59:26,611 Instead, use pypa/build, pypa/installer or other 2025-09-02T15:59:26,611 standards-based tools. 2025-09-02T15:59:26,613 By 2025-Oct-31, you need to update your project and remove deprecated calls 2025-09-02T15:59:26,613 or your builds will no longer be supported. 2025-09-02T15:59:26,615 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2025-09-02T15:59:26,616 ******************************************************************************** 2025-09-02T15:59:26,617 !! 2025-09-02T15:59:26,618 self.initialize_options() 2025-09-02T15:59:26,632 installing to build/bdist.linux-armv7l/wheel 2025-09-02T15:59:26,632 running install 2025-09-02T15:59:26,659 running install_lib 2025-09-02T15:59:26,686 creating build/bdist.linux-armv7l/wheel 2025-09-02T15:59:26,689 creating build/bdist.linux-armv7l/wheel/streamd 2025-09-02T15:59:26,690 creating build/bdist.linux-armv7l/wheel/streamd/analysis 2025-09-02T15:59:26,692 copying build/lib/streamd/analysis/md_system_analysis.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2025-09-02T15:59:26,694 copying build/lib/streamd/analysis/plot_build.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2025-09-02T15:59:26,697 copying build/lib/streamd/analysis/run_analysis.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2025-09-02T15:59:26,699 copying build/lib/streamd/analysis/xvg2png.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2025-09-02T15:59:26,702 copying build/lib/streamd/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2025-09-02T15:59:26,705 creating build/bdist.linux-armv7l/wheel/streamd/tests 2025-09-02T15:59:26,706 copying build/lib/streamd/tests/analysis_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,708 copying build/lib/streamd/tests/conftest.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,711 copying build/lib/streamd/tests/decomp_dat_parser_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,714 copying build/lib/streamd/tests/system_name_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,716 copying build/lib/streamd/tests/config_cli_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,718 copying build/lib/streamd/tests/md_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,721 copying build/lib/streamd/tests/plot_build_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,723 copying build/lib/streamd/tests/import_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,726 copying build/lib/streamd/tests/preparation_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,728 copying build/lib/streamd/tests/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,730 copying build/lib/streamd/tests/prolif_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,733 copying build/lib/streamd/tests/gbsa_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2025-09-02T15:59:26,779 creating build/bdist.linux-armv7l/wheel/streamd/preparation 2025-09-02T15:59:26,781 copying build/lib/streamd/preparation/md_files_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2025-09-02T15:59:26,785 copying build/lib/streamd/preparation/complex_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2025-09-02T15:59:26,788 copying build/lib/streamd/preparation/mcpbpy_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2025-09-02T15:59:26,791 copying build/lib/streamd/preparation/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2025-09-02T15:59:26,794 copying build/lib/streamd/preparation/ligand_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2025-09-02T15:59:26,797 copying build/lib/streamd/preparation/nonstandard_solvent_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2025-09-02T15:59:26,800 creating build/bdist.linux-armv7l/wheel/streamd/mcpbpy_md 2025-09-02T15:59:26,801 copying build/lib/streamd/mcpbpy_md/mcbpy_md.py -> build/bdist.linux-armv7l/wheel/./streamd/mcpbpy_md 2025-09-02T15:59:26,805 copying build/lib/streamd/mcpbpy_md/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/mcpbpy_md 2025-09-02T15:59:26,808 creating build/bdist.linux-armv7l/wheel/streamd/scripts 2025-09-02T15:59:26,809 copying build/lib/streamd/scripts/pmed_amb2gmx.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2025-09-02T15:59:26,811 copying build/lib/streamd/scripts/tleap.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2025-09-02T15:59:26,813 copying build/lib/streamd/scripts/mol2_fix_coordsbonds.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2025-09-02T15:59:26,816 creating build/bdist.linux-armv7l/wheel/streamd/scripts/mcpbpy_scripts 2025-09-02T15:59:26,817 copying build/lib/streamd/scripts/mcpbpy_scripts/protein.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mcpbpy_scripts 2025-09-02T15:59:26,820 creating build/bdist.linux-armv7l/wheel/streamd/scripts/script_sh 2025-09-02T15:59:26,821 copying build/lib/streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2025-09-02T15:59:26,823 copying build/lib/streamd/scripts/script_sh/md.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2025-09-02T15:59:26,824 copying build/lib/streamd/scripts/script_sh/equlibration.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2025-09-02T15:59:26,827 copying build/lib/streamd/scripts/script_sh/ligand_prep.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2025-09-02T15:59:26,829 copying build/lib/streamd/scripts/script_sh/solv_ions.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2025-09-02T15:59:26,830 copying build/lib/streamd/scripts/script_sh/md_ligand_analysis.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2025-09-02T15:59:26,833 copying build/lib/streamd/scripts/script_sh/ligand_mol2prep.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2025-09-02T15:59:26,835 copying build/lib/streamd/scripts/script_sh/md_analysis.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2025-09-02T15:59:26,837 copying build/lib/streamd/scripts/script_sh/continue_md.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2025-09-02T15:59:26,839 copying build/lib/streamd/scripts/pdb2mol.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2025-09-02T15:59:26,841 copying build/lib/streamd/scripts/getcharge.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2025-09-02T15:59:26,843 copying build/lib/streamd/scripts/prepare_Gaussian_input.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2025-09-02T15:59:26,846 creating build/bdist.linux-armv7l/wheel/streamd/scripts/mdp 2025-09-02T15:59:26,847 copying build/lib/streamd/scripts/mdp/md.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2025-09-02T15:59:26,849 copying build/lib/streamd/scripts/mdp/ions.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2025-09-02T15:59:26,851 copying build/lib/streamd/scripts/mdp/minim.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2025-09-02T15:59:26,853 copying build/lib/streamd/scripts/mdp/nvt.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2025-09-02T15:59:26,856 copying build/lib/streamd/scripts/mdp/npt.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2025-09-02T15:59:26,859 creating build/bdist.linux-armv7l/wheel/streamd/scripts/com 2025-09-02T15:59:26,860 copying build/lib/streamd/scripts/com/1.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2025-09-02T15:59:26,862 copying build/lib/streamd/scripts/com/2.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2025-09-02T15:59:26,864 copying build/lib/streamd/scripts/com/3.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2025-09-02T15:59:26,866 copying build/lib/streamd/scripts/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2025-09-02T15:59:26,869 creating build/bdist.linux-armv7l/wheel/streamd/scripts/gbsa 2025-09-02T15:59:26,870 copying build/lib/streamd/scripts/gbsa/mmpbsa.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts/gbsa 2025-09-02T15:59:26,872 copying build/lib/streamd/run_gbsa.py -> build/bdist.linux-armv7l/wheel/./streamd 2025-09-02T15:59:26,876 creating build/bdist.linux-armv7l/wheel/streamd/example 2025-09-02T15:59:26,877 copying build/lib/streamd/example/ligand.mol -> build/bdist.linux-armv7l/wheel/./streamd/example 2025-09-02T15:59:26,879 copying build/lib/streamd/example/instructions.txt -> build/bdist.linux-armv7l/wheel/./streamd/example 2025-09-02T15:59:26,881 copying build/lib/streamd/example/protein_HIS.pdb -> build/bdist.linux-armv7l/wheel/./streamd/example 2025-09-02T15:59:26,891 creating build/bdist.linux-armv7l/wheel/streamd/utils 2025-09-02T15:59:26,892 copying build/lib/streamd/utils/utils.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2025-09-02T15:59:26,895 copying build/lib/streamd/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2025-09-02T15:59:26,897 copying build/lib/streamd/utils/dask_init.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2025-09-02T15:59:26,899 copying build/lib/streamd/run_md.py -> build/bdist.linux-armv7l/wheel/./streamd 2025-09-02T15:59:26,903 creating build/bdist.linux-armv7l/wheel/streamd/prolif 2025-09-02T15:59:26,905 copying build/lib/streamd/prolif/run_prolif.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2025-09-02T15:59:26,907 copying build/lib/streamd/prolif/prolif2png.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2025-09-02T15:59:26,910 copying build/lib/streamd/prolif/prolif_frame_map.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2025-09-02T15:59:26,912 copying build/lib/streamd/prolif/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2025-09-02T15:59:26,914 copying build/lib/streamd/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd 2025-09-02T15:59:26,916 running install_egg_info 2025-09-02T15:59:26,955 Copying streamd.egg-info to build/bdist.linux-armv7l/wheel/./streamd-0.4-py3.11.egg-info 2025-09-02T15:59:26,967 running install_scripts 2025-09-02T15:59:26,983 creating build/bdist.linux-armv7l/wheel/streamd-0.4.dist-info/WHEEL 2025-09-02T15:59:26,986 creating '/tmp/pip-wheel-rtum93wu/streamd-0.4-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-09-02T15:59:26,989 adding 'streamd/__init__.py' 2025-09-02T15:59:26,994 adding 'streamd/run_gbsa.py' 2025-09-02T15:59:27,002 adding 'streamd/run_md.py' 2025-09-02T15:59:27,004 adding 'streamd/analysis/__init__.py' 2025-09-02T15:59:27,006 adding 'streamd/analysis/md_system_analysis.py' 2025-09-02T15:59:27,008 adding 'streamd/analysis/plot_build.py' 2025-09-02T15:59:27,011 adding 'streamd/analysis/run_analysis.py' 2025-09-02T15:59:27,012 adding 'streamd/analysis/xvg2png.py' 2025-09-02T15:59:27,014 adding 'streamd/example/instructions.txt' 2025-09-02T15:59:27,016 adding 'streamd/example/ligand.mol' 2025-09-02T15:59:27,082 adding 'streamd/example/protein_HIS.pdb' 2025-09-02T15:59:27,086 adding 'streamd/mcpbpy_md/__init__.py' 2025-09-02T15:59:27,087 adding 'streamd/mcpbpy_md/mcbpy_md.py' 2025-09-02T15:59:27,089 adding 'streamd/preparation/__init__.py' 2025-09-02T15:59:27,091 adding 'streamd/preparation/complex_preparation.py' 2025-09-02T15:59:27,093 adding 'streamd/preparation/ligand_preparation.py' 2025-09-02T15:59:27,095 adding 'streamd/preparation/mcpbpy_preparation.py' 2025-09-02T15:59:27,097 adding 'streamd/preparation/md_files_preparation.py' 2025-09-02T15:59:27,098 adding 'streamd/preparation/nonstandard_solvent_preparation.py' 2025-09-02T15:59:27,100 adding 'streamd/prolif/__init__.py' 2025-09-02T15:59:27,102 adding 'streamd/prolif/prolif2png.py' 2025-09-02T15:59:27,104 adding 'streamd/prolif/prolif_frame_map.py' 2025-09-02T15:59:27,106 adding 'streamd/prolif/run_prolif.py' 2025-09-02T15:59:27,109 adding 'streamd/scripts/__init__.py' 2025-09-02T15:59:27,110 adding 'streamd/scripts/getcharge.py' 2025-09-02T15:59:27,112 adding 'streamd/scripts/mol2_fix_coordsbonds.py' 2025-09-02T15:59:27,114 adding 'streamd/scripts/pdb2mol.py' 2025-09-02T15:59:27,115 adding 'streamd/scripts/pmed_amb2gmx.py' 2025-09-02T15:59:27,116 adding 'streamd/scripts/prepare_Gaussian_input.py' 2025-09-02T15:59:27,118 adding 'streamd/scripts/tleap.in' 2025-09-02T15:59:27,119 adding 'streamd/scripts/com/1.com' 2025-09-02T15:59:27,120 adding 'streamd/scripts/com/2.com' 2025-09-02T15:59:27,121 adding 'streamd/scripts/com/3.com' 2025-09-02T15:59:27,123 adding 'streamd/scripts/gbsa/mmpbsa.in' 2025-09-02T15:59:27,125 adding 'streamd/scripts/mcpbpy_scripts/protein.in' 2025-09-02T15:59:27,126 adding 'streamd/scripts/mdp/ions.mdp' 2025-09-02T15:59:27,128 adding 'streamd/scripts/mdp/md.mdp' 2025-09-02T15:59:27,129 adding 'streamd/scripts/mdp/minim.mdp' 2025-09-02T15:59:27,131 adding 'streamd/scripts/mdp/npt.mdp' 2025-09-02T15:59:27,132 adding 'streamd/scripts/mdp/nvt.mdp' 2025-09-02T15:59:27,134 adding 'streamd/scripts/script_sh/continue_md.sh' 2025-09-02T15:59:27,135 adding 'streamd/scripts/script_sh/equlibration.sh' 2025-09-02T15:59:27,136 adding 'streamd/scripts/script_sh/ligand_mol2prep.sh' 2025-09-02T15:59:27,138 adding 'streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh' 2025-09-02T15:59:27,139 adding 'streamd/scripts/script_sh/ligand_prep.sh' 2025-09-02T15:59:27,140 adding 'streamd/scripts/script_sh/md.sh' 2025-09-02T15:59:27,142 adding 'streamd/scripts/script_sh/md_analysis.sh' 2025-09-02T15:59:27,143 adding 'streamd/scripts/script_sh/md_ligand_analysis.sh' 2025-09-02T15:59:27,145 adding 'streamd/scripts/script_sh/solv_ions.sh' 2025-09-02T15:59:27,147 adding 'streamd/tests/__init__.py' 2025-09-02T15:59:27,148 adding 'streamd/tests/analysis_test.py' 2025-09-02T15:59:27,150 adding 'streamd/tests/config_cli_test.py' 2025-09-02T15:59:27,152 adding 'streamd/tests/conftest.py' 2025-09-02T15:59:27,153 adding 'streamd/tests/decomp_dat_parser_test.py' 2025-09-02T15:59:27,155 adding 'streamd/tests/gbsa_test.py' 2025-09-02T15:59:27,156 adding 'streamd/tests/import_test.py' 2025-09-02T15:59:27,158 adding 'streamd/tests/md_test.py' 2025-09-02T15:59:27,160 adding 'streamd/tests/plot_build_test.py' 2025-09-02T15:59:27,161 adding 'streamd/tests/preparation_test.py' 2025-09-02T15:59:27,162 adding 'streamd/tests/prolif_test.py' 2025-09-02T15:59:27,164 adding 'streamd/tests/system_name_test.py' 2025-09-02T15:59:27,165 adding 'streamd/utils/__init__.py' 2025-09-02T15:59:27,167 adding 'streamd/utils/dask_init.py' 2025-09-02T15:59:27,169 adding 'streamd/utils/utils.py' 2025-09-02T15:59:27,172 adding 'streamd-0.4.dist-info/licenses/LICENSE.txt' 2025-09-02T15:59:27,177 adding 'streamd-0.4.dist-info/METADATA' 2025-09-02T15:59:27,179 adding 'streamd-0.4.dist-info/WHEEL' 2025-09-02T15:59:27,180 adding 'streamd-0.4.dist-info/entry_points.txt' 2025-09-02T15:59:27,181 adding 'streamd-0.4.dist-info/top_level.txt' 2025-09-02T15:59:27,182 adding 'streamd-0.4.dist-info/RECORD' 2025-09-02T15:59:27,187 removing build/bdist.linux-armv7l/wheel 2025-09-02T15:59:27,317 Building wheel for streamd (setup.py): finished with status 'done' 2025-09-02T15:59:27,321 Created wheel for streamd: filename=streamd-0.4-py3-none-any.whl size=200088 sha256=afe1d3fb1d27b1f0bd3458d12ac85ed21d9eea86ae3f2a022a0a77607c5e5bb9 2025-09-02T15:59:27,322 Stored in directory: /tmp/pip-ephem-wheel-cache-77t8z2xn/wheels/9a/ce/bd/6fef1f51182cb01aec263cf66904930965487dd8a6c8d95f5d 2025-09-02T15:59:27,342 Successfully built streamd 2025-09-02T15:59:27,354 Removed build tracker: '/tmp/pip-build-tracker-7by9rejx'