2026-04-03T13:03:12,266 Created temporary directory: /tmp/pip-ephem-wheel-cache-5w3tpo57 2026-04-03T13:03:12,268 Created temporary directory: /tmp/pip-build-tracker-sqlpv0qr 2026-04-03T13:03:12,269 Initialized build tracking at /tmp/pip-build-tracker-sqlpv0qr 2026-04-03T13:03:12,269 Created build tracker: /tmp/pip-build-tracker-sqlpv0qr 2026-04-03T13:03:12,270 Entered build tracker: /tmp/pip-build-tracker-sqlpv0qr 2026-04-03T13:03:12,270 Created temporary directory: /tmp/pip-wheel-x_4nwn2a 2026-04-03T13:03:12,273 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 2026-04-03T13:03:12,276 Created temporary directory: /tmp/pip-ephem-wheel-cache-h8aw2kzf 2026-04-03T13:03:12,297 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-04-03T13:03:12,300 2 location(s) to search for versions of bfflearn: 2026-04-03T13:03:12,300 * https://pypi.org/simple/bfflearn/ 2026-04-03T13:03:12,300 * https://www.piwheels.org/simple/bfflearn/ 2026-04-03T13:03:12,301 Fetching project page and analyzing links: https://pypi.org/simple/bfflearn/ 2026-04-03T13:03:12,302 Getting page https://pypi.org/simple/bfflearn/ 2026-04-03T13:03:12,303 Found index url https://pypi.org/simple 2026-04-03T13:03:12,528 Fetched page https://pypi.org/simple/bfflearn/ as application/vnd.pypi.simple.v1+json 2026-04-03T13:03:12,530 Skipping link: No binaries permitted for bfflearn: https://files.pythonhosted.org/packages/c9/a0/de206c7bd12a418faed2ccac346a88777330895500b237997ffae9745cd9/bfflearn-0.1.0.dev1-py3-none-any.whl (from https://pypi.org/simple/bfflearn/) (requires-python:>=3.10) 2026-04-03T13:03:12,531 Found link https://files.pythonhosted.org/packages/2d/dc/7fa40dd85a96eaf06e40e2e006a7ad38eef9af3db5aa96cb898af9a4a819/bfflearn-0.1.0.dev1.tar.gz (from https://pypi.org/simple/bfflearn/) (requires-python:>=3.10), version: 0.1.0.dev1 2026-04-03T13:03:12,532 Skipping link: No binaries permitted for bfflearn: https://files.pythonhosted.org/packages/0b/4f/b04fdc7d5f7fe37680dabaf446627c09a900dd22bcba5c3c18ee5860e4e0/bfflearn-0.1.0.dev2-py3-none-any.whl (from https://pypi.org/simple/bfflearn/) (requires-python:>=3.10) 2026-04-03T13:03:12,533 Found link https://files.pythonhosted.org/packages/b8/83/41562445f0ae697f2f977e51962100a0fe66ef78d9ba8c36fe2073fd0fe0/bfflearn-0.1.0.dev2.tar.gz (from https://pypi.org/simple/bfflearn/) (requires-python:>=3.10), version: 0.1.0.dev2 2026-04-03T13:03:12,534 Fetching project page and analyzing links: https://www.piwheels.org/simple/bfflearn/ 2026-04-03T13:03:12,534 Getting page https://www.piwheels.org/simple/bfflearn/ 2026-04-03T13:03:12,536 Found index url https://www.piwheels.org/simple 2026-04-03T13:03:12,722 Fetched page https://www.piwheels.org/simple/bfflearn/ as text/html 2026-04-03T13:03:12,724 Skipping link: not a file: https://www.piwheels.org/simple/bfflearn/ 2026-04-03T13:03:12,724 Skipping link: not a file: https://pypi.org/simple/bfflearn/ 2026-04-03T13:03:12,743 Given no hashes to check 1 links for project 'bfflearn': discarding no candidates 2026-04-03T13:03:12,761 Collecting bfflearn==0.1.0.dev1 2026-04-03T13:03:12,764 Created temporary directory: /tmp/pip-unpack-0rqo45b0 2026-04-03T13:03:12,985 Downloading bfflearn-0.1.0.dev1.tar.gz (128 kB) 2026-04-03T13:03:13,208 Added bfflearn==0.1.0.dev1 from https://files.pythonhosted.org/packages/2d/dc/7fa40dd85a96eaf06e40e2e006a7ad38eef9af3db5aa96cb898af9a4a819/bfflearn-0.1.0.dev1.tar.gz to build tracker '/tmp/pip-build-tracker-sqlpv0qr' 2026-04-03T13:03:13,216 Created temporary directory: /tmp/pip-build-env-36gcrjl7 2026-04-03T13:03:13,220 Installing build dependencies: started 2026-04-03T13:03:13,222 Running command pip subprocess to install build dependencies 2026-04-03T13:03:14,367 Using pip 23.0.1 from /usr/lib/python3/dist-packages/pip (python 3.11) 2026-04-03T13:03:14,868 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 2026-04-03T13:03:14,892 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-04-03T13:03:16,655 Collecting setuptools>=61 2026-04-03T13:03:16,731 Using cached https://www.piwheels.org/simple/setuptools/setuptools-82.0.1-py3-none-any.whl (1.0 MB) 2026-04-03T13:03:16,997 Collecting wheel 2026-04-03T13:03:17,012 Using cached https://www.piwheels.org/simple/wheel/wheel-0.46.3-py3-none-any.whl (30 kB) 2026-04-03T13:03:17,400 Collecting pip 2026-04-03T13:03:17,541 Using cached https://www.piwheels.org/simple/pip/pip-26.0.1-py3-none-any.whl (1.8 MB) 2026-04-03T13:03:17,783 Collecting packaging>=24.0 2026-04-03T13:03:17,799 Using cached https://www.piwheels.org/simple/packaging/packaging-26.0-py3-none-any.whl (74 kB) 2026-04-03T13:03:20,799 Installing collected packages: setuptools, pip, packaging, wheel 2026-04-03T13:03:28,113 Creating /tmp/pip-build-env-36gcrjl7/overlay/local/bin 2026-04-03T13:03:28,115 changing mode of /tmp/pip-build-env-36gcrjl7/overlay/local/bin/pip to 755 2026-04-03T13:03:28,118 changing mode of /tmp/pip-build-env-36gcrjl7/overlay/local/bin/pip3 to 755 2026-04-03T13:03:28,120 changing mode of /tmp/pip-build-env-36gcrjl7/overlay/local/bin/pip3.11 to 755 2026-04-03T13:03:28,514 changing mode of /tmp/pip-build-env-36gcrjl7/overlay/local/bin/wheel to 755 2026-04-03T13:03:28,541 Successfully installed packaging-26.0 pip-26.0.1 setuptools-82.0.1 wheel-0.46.3 2026-04-03T13:03:28,831 Installing build dependencies: finished with status 'done' 2026-04-03T13:03:28,837 Getting requirements to build wheel: started 2026-04-03T13:03:28,838 Running command Getting requirements to build wheel 2026-04-03T13:03:29,487 /tmp/pip-build-env-36gcrjl7/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-04-03T13:03:29,488 !! 2026-04-03T13:03:29,489 ******************************************************************************** 2026-04-03T13:03:29,489 Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). 2026-04-03T13:03:29,491 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-04-03T13:03:29,491 or your builds will no longer be supported. 2026-04-03T13:03:29,492 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-03T13:03:29,493 ******************************************************************************** 2026-04-03T13:03:29,494 !! 2026-04-03T13:03:29,495 corresp(dist, value, root_dir) 2026-04-03T13:03:29,573 /tmp/pip-build-env-36gcrjl7/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-03T13:03:29,574 !! 2026-04-03T13:03:29,575 ******************************************************************************** 2026-04-03T13:03:29,576 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-03T13:03:29,577 License :: OSI Approved :: GNU General Public License v3 (GPLv3) 2026-04-03T13:03:29,578 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-03T13:03:29,579 ******************************************************************************** 2026-04-03T13:03:29,581 !! 2026-04-03T13:03:29,581 dist._finalize_license_expression() 2026-04-03T13:03:29,582 /tmp/pip-build-env-36gcrjl7/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-03T13:03:29,582 !! 2026-04-03T13:03:29,583 ******************************************************************************** 2026-04-03T13:03:29,583 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-03T13:03:29,584 License :: OSI Approved :: GNU General Public License v3 (GPLv3) 2026-04-03T13:03:29,585 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-03T13:03:29,586 ******************************************************************************** 2026-04-03T13:03:29,587 !! 2026-04-03T13:03:29,587 self._finalize_license_expression() 2026-04-03T13:03:29,588 running egg_info 2026-04-03T13:03:29,592 writing bfflearn.egg-info/PKG-INFO 2026-04-03T13:03:29,600 writing dependency_links to bfflearn.egg-info/dependency_links.txt 2026-04-03T13:03:29,602 writing entry points to bfflearn.egg-info/entry_points.txt 2026-04-03T13:03:29,605 writing requirements to bfflearn.egg-info/requires.txt 2026-04-03T13:03:29,607 writing top-level names to bfflearn.egg-info/top_level.txt 2026-04-03T13:03:29,636 reading manifest file 'bfflearn.egg-info/SOURCES.txt' 2026-04-03T13:03:29,641 adding license file 'LICENSE' 2026-04-03T13:03:29,646 writing manifest file 'bfflearn.egg-info/SOURCES.txt' 2026-04-03T13:03:29,746 Getting requirements to build wheel: finished with status 'done' 2026-04-03T13:03:29,749 Created temporary directory: /tmp/pip-modern-metadata-wt04o4x5 2026-04-03T13:03:29,752 Preparing metadata (pyproject.toml): started 2026-04-03T13:03:29,753 Running command Preparing metadata (pyproject.toml) 2026-04-03T13:03:30,322 /tmp/pip-build-env-36gcrjl7/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-04-03T13:03:30,322 !! 2026-04-03T13:03:30,323 ******************************************************************************** 2026-04-03T13:03:30,324 Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). 2026-04-03T13:03:30,325 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-04-03T13:03:30,326 or your builds will no longer be supported. 2026-04-03T13:03:30,327 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-03T13:03:30,328 ******************************************************************************** 2026-04-03T13:03:30,329 !! 2026-04-03T13:03:30,329 corresp(dist, value, root_dir) 2026-04-03T13:03:30,399 /tmp/pip-build-env-36gcrjl7/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-03T13:03:30,400 !! 2026-04-03T13:03:30,401 ******************************************************************************** 2026-04-03T13:03:30,401 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-03T13:03:30,403 License :: OSI Approved :: GNU General Public License v3 (GPLv3) 2026-04-03T13:03:30,404 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-03T13:03:30,404 ******************************************************************************** 2026-04-03T13:03:30,406 !! 2026-04-03T13:03:30,407 dist._finalize_license_expression() 2026-04-03T13:03:30,407 /tmp/pip-build-env-36gcrjl7/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-03T13:03:30,408 !! 2026-04-03T13:03:30,409 ******************************************************************************** 2026-04-03T13:03:30,410 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-03T13:03:30,411 License :: OSI Approved :: GNU General Public License v3 (GPLv3) 2026-04-03T13:03:30,411 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-03T13:03:30,412 ******************************************************************************** 2026-04-03T13:03:30,413 !! 2026-04-03T13:03:30,413 self._finalize_license_expression() 2026-04-03T13:03:30,414 running dist_info 2026-04-03T13:03:30,423 creating /tmp/pip-modern-metadata-wt04o4x5/bfflearn.egg-info 2026-04-03T13:03:30,424 writing /tmp/pip-modern-metadata-wt04o4x5/bfflearn.egg-info/PKG-INFO 2026-04-03T13:03:30,432 writing dependency_links to /tmp/pip-modern-metadata-wt04o4x5/bfflearn.egg-info/dependency_links.txt 2026-04-03T13:03:30,434 writing entry points to /tmp/pip-modern-metadata-wt04o4x5/bfflearn.egg-info/entry_points.txt 2026-04-03T13:03:30,436 writing requirements to /tmp/pip-modern-metadata-wt04o4x5/bfflearn.egg-info/requires.txt 2026-04-03T13:03:30,437 writing top-level names to /tmp/pip-modern-metadata-wt04o4x5/bfflearn.egg-info/top_level.txt 2026-04-03T13:03:30,439 writing manifest file '/tmp/pip-modern-metadata-wt04o4x5/bfflearn.egg-info/SOURCES.txt' 2026-04-03T13:03:30,463 reading manifest file '/tmp/pip-modern-metadata-wt04o4x5/bfflearn.egg-info/SOURCES.txt' 2026-04-03T13:03:30,465 adding license file 'LICENSE' 2026-04-03T13:03:30,469 writing manifest file '/tmp/pip-modern-metadata-wt04o4x5/bfflearn.egg-info/SOURCES.txt' 2026-04-03T13:03:30,470 creating '/tmp/pip-modern-metadata-wt04o4x5/bfflearn-0.1.0.dev1.dist-info' 2026-04-03T13:03:30,598 Preparing metadata (pyproject.toml): finished with status 'done' 2026-04-03T13:03:30,611 Source in /tmp/pip-wheel-x_4nwn2a/bfflearn_ae4cab4741de4d668e9c0fc90f6b3a76 has version 0.1.0.dev1, which satisfies requirement bfflearn==0.1.0.dev1 from https://files.pythonhosted.org/packages/2d/dc/7fa40dd85a96eaf06e40e2e006a7ad38eef9af3db5aa96cb898af9a4a819/bfflearn-0.1.0.dev1.tar.gz 2026-04-03T13:03:30,612 Removed bfflearn==0.1.0.dev1 from https://files.pythonhosted.org/packages/2d/dc/7fa40dd85a96eaf06e40e2e006a7ad38eef9af3db5aa96cb898af9a4a819/bfflearn-0.1.0.dev1.tar.gz from build tracker '/tmp/pip-build-tracker-sqlpv0qr' 2026-04-03T13:03:30,632 Created temporary directory: /tmp/pip-unpack-wdc6zngq 2026-04-03T13:03:30,633 Building wheels for collected packages: bfflearn 2026-04-03T13:03:30,638 Created temporary directory: /tmp/pip-wheel-_jou59_5 2026-04-03T13:03:30,638 Destination directory: /tmp/pip-wheel-_jou59_5 2026-04-03T13:03:30,640 Building wheel for bfflearn (pyproject.toml): started 2026-04-03T13:03:30,642 Running command Building wheel for bfflearn (pyproject.toml) 2026-04-03T13:03:31,206 /tmp/pip-build-env-36gcrjl7/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:82: SetuptoolsDeprecationWarning: `project.license` as a TOML table is deprecated 2026-04-03T13:03:31,206 !! 2026-04-03T13:03:31,207 ******************************************************************************** 2026-04-03T13:03:31,208 Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). 2026-04-03T13:03:31,209 By 2027-Feb-18, you need to update your project and remove deprecated calls 2026-04-03T13:03:31,210 or your builds will no longer be supported. 2026-04-03T13:03:31,211 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-03T13:03:31,212 ******************************************************************************** 2026-04-03T13:03:31,213 !! 2026-04-03T13:03:31,214 corresp(dist, value, root_dir) 2026-04-03T13:03:31,278 /tmp/pip-build-env-36gcrjl7/overlay/local/lib/python3.11/dist-packages/setuptools/config/_apply_pyprojecttoml.py:61: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-03T13:03:31,279 !! 2026-04-03T13:03:31,280 ******************************************************************************** 2026-04-03T13:03:31,280 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-03T13:03:31,281 License :: OSI Approved :: GNU General Public License v3 (GPLv3) 2026-04-03T13:03:31,282 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-03T13:03:31,283 ******************************************************************************** 2026-04-03T13:03:31,284 !! 2026-04-03T13:03:31,284 dist._finalize_license_expression() 2026-04-03T13:03:31,285 /tmp/pip-build-env-36gcrjl7/overlay/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-04-03T13:03:31,286 !! 2026-04-03T13:03:31,287 ******************************************************************************** 2026-04-03T13:03:31,287 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-04-03T13:03:31,288 License :: OSI Approved :: GNU General Public License v3 (GPLv3) 2026-04-03T13:03:31,289 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-04-03T13:03:31,290 ******************************************************************************** 2026-04-03T13:03:31,291 !! 2026-04-03T13:03:31,291 self._finalize_license_expression() 2026-04-03T13:03:31,292 running bdist_wheel 2026-04-03T13:03:31,305 running build 2026-04-03T13:03:31,305 running build_py 2026-04-03T13:03:31,312 creating build/lib/bff 2026-04-03T13:03:31,314 copying bff/data.py -> build/lib/bff 2026-04-03T13:03:31,317 copying bff/tools.py -> build/lib/bff 2026-04-03T13:03:31,319 copying bff/cli.py -> build/lib/bff 2026-04-03T13:03:31,321 copying bff/plotting.py -> build/lib/bff 2026-04-03T13:03:31,324 copying bff/topology.py -> build/lib/bff 2026-04-03T13:03:31,327 copying bff/__init__.py -> build/lib/bff 2026-04-03T13:03:31,330 creating build/lib/bff/mcmc 2026-04-03T13:03:31,331 copying bff/mcmc/sampler.py -> build/lib/bff/mcmc 2026-04-03T13:03:31,335 copying bff/mcmc/proposal.py -> build/lib/bff/mcmc 2026-04-03T13:03:31,337 copying bff/mcmc/__init__.py -> build/lib/bff/mcmc 2026-04-03T13:03:31,339 copying bff/mcmc/convergence.py -> build/lib/bff/mcmc 2026-04-03T13:03:31,342 creating build/lib/bff/io 2026-04-03T13:03:31,343 copying bff/io/schedulers.py -> build/lib/bff/io 2026-04-03T13:03:31,346 copying bff/io/cp2k.py -> build/lib/bff/io 2026-04-03T13:03:31,348 copying bff/io/plumed.py -> build/lib/bff/io 2026-04-03T13:03:31,351 copying bff/io/commands.py -> build/lib/bff/io 2026-04-03T13:03:31,353 copying bff/io/logs.py -> build/lib/bff/io 2026-04-03T13:03:31,356 copying bff/io/colvars.py -> build/lib/bff/io 2026-04-03T13:03:31,358 copying bff/io/utils.py -> build/lib/bff/io 2026-04-03T13:03:31,360 copying bff/io/progress.py -> build/lib/bff/io 2026-04-03T13:03:31,362 copying bff/io/mdp.py -> build/lib/bff/io 2026-04-03T13:03:31,364 copying bff/io/__init__.py -> build/lib/bff/io 2026-04-03T13:03:31,367 creating build/lib/bff/domain 2026-04-03T13:03:31,368 copying bff/domain/specs.py -> build/lib/bff/domain 2026-04-03T13:03:31,370 copying bff/domain/bias.py -> build/lib/bff/domain 2026-04-03T13:03:31,373 copying bff/domain/trainset.py -> build/lib/bff/domain 2026-04-03T13:03:31,375 copying bff/domain/__init__.py -> build/lib/bff/domain 2026-04-03T13:03:31,378 creating build/lib/bff/qoi 2026-04-03T13:03:31,379 copying bff/qoi/hbonds.py -> build/lib/bff/qoi 2026-04-03T13:03:31,381 copying bff/qoi/data.py -> build/lib/bff/qoi 2026-04-03T13:03:31,383 copying bff/qoi/rdf.py -> build/lib/bff/qoi 2026-04-03T13:03:31,385 copying bff/qoi/analysis.py -> build/lib/bff/qoi 2026-04-03T13:03:31,387 copying bff/qoi/__init__.py -> build/lib/bff/qoi 2026-04-03T13:03:31,389 copying bff/qoi/routines.py -> build/lib/bff/qoi 2026-04-03T13:03:31,392 creating build/lib/bff/bayes 2026-04-03T13:03:31,393 copying bff/bayes/likelihoods.py -> build/lib/bff/bayes 2026-04-03T13:03:31,396 copying bff/bayes/gaussian_process.py -> build/lib/bff/bayes 2026-04-03T13:03:31,398 copying bff/bayes/learning.py -> build/lib/bff/bayes 2026-04-03T13:03:31,401 copying bff/bayes/results.py -> build/lib/bff/bayes 2026-04-03T13:03:31,403 copying bff/bayes/kernels.py -> build/lib/bff/bayes 2026-04-03T13:03:31,405 copying bff/bayes/utils.py -> build/lib/bff/bayes 2026-04-03T13:03:31,408 copying bff/bayes/posterior.py -> build/lib/bff/bayes 2026-04-03T13:03:31,410 copying bff/bayes/__init__.py -> build/lib/bff/bayes 2026-04-03T13:03:31,412 copying bff/bayes/priors.py -> build/lib/bff/bayes 2026-04-03T13:03:31,415 creating build/lib/bff/workflows 2026-04-03T13:03:31,416 copying bff/workflows/simulate.py -> build/lib/bff/workflows 2026-04-03T13:03:31,418 copying bff/workflows/configs.py -> build/lib/bff/workflows 2026-04-03T13:03:31,420 copying bff/workflows/learn.py -> build/lib/bff/workflows 2026-04-03T13:03:31,422 copying bff/workflows/md.py -> build/lib/bff/workflows 2026-04-03T13:03:31,425 copying bff/workflows/train.py -> build/lib/bff/workflows 2026-04-03T13:03:31,427 copying bff/workflows/validate.py -> build/lib/bff/workflows 2026-04-03T13:03:31,428 copying bff/workflows/prepare.py -> build/lib/bff/workflows 2026-04-03T13:03:31,431 copying bff/workflows/runsims.py -> build/lib/bff/workflows 2026-04-03T13:03:31,434 copying bff/workflows/qoi.py -> build/lib/bff/workflows 2026-04-03T13:03:31,437 copying bff/workflows/__init__.py -> build/lib/bff/workflows 2026-04-03T13:03:31,438 running egg_info 2026-04-03T13:03:31,449 writing bfflearn.egg-info/PKG-INFO 2026-04-03T13:03:31,456 writing dependency_links to bfflearn.egg-info/dependency_links.txt 2026-04-03T13:03:31,458 writing entry points to bfflearn.egg-info/entry_points.txt 2026-04-03T13:03:31,461 writing requirements to bfflearn.egg-info/requires.txt 2026-04-03T13:03:31,462 writing top-level names to bfflearn.egg-info/top_level.txt 2026-04-03T13:03:31,477 reading manifest file 'bfflearn.egg-info/SOURCES.txt' 2026-04-03T13:03:31,482 adding license file 'LICENSE' 2026-04-03T13:03:31,486 writing manifest file 'bfflearn.egg-info/SOURCES.txt' 2026-04-03T13:03:31,504 installing to build/bdist.linux-armv7l/wheel 2026-04-03T13:03:31,505 running install 2026-04-03T13:03:31,529 running install_lib 2026-04-03T13:03:31,535 creating build/bdist.linux-armv7l/wheel 2026-04-03T13:03:31,537 creating build/bdist.linux-armv7l/wheel/bff 2026-04-03T13:03:31,539 copying build/lib/bff/data.py -> build/bdist.linux-armv7l/wheel/./bff 2026-04-03T13:03:31,541 creating build/bdist.linux-armv7l/wheel/bff/mcmc 2026-04-03T13:03:31,542 copying build/lib/bff/mcmc/sampler.py -> build/bdist.linux-armv7l/wheel/./bff/mcmc 2026-04-03T13:03:31,545 copying build/lib/bff/mcmc/proposal.py -> build/bdist.linux-armv7l/wheel/./bff/mcmc 2026-04-03T13:03:31,548 copying build/lib/bff/mcmc/__init__.py -> build/bdist.linux-armv7l/wheel/./bff/mcmc 2026-04-03T13:03:31,550 copying build/lib/bff/mcmc/convergence.py -> build/bdist.linux-armv7l/wheel/./bff/mcmc 2026-04-03T13:03:31,553 creating build/bdist.linux-armv7l/wheel/bff/io 2026-04-03T13:03:31,554 copying build/lib/bff/io/schedulers.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,556 copying build/lib/bff/io/cp2k.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,558 copying build/lib/bff/io/plumed.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,561 copying build/lib/bff/io/commands.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,563 copying build/lib/bff/io/logs.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,565 copying build/lib/bff/io/colvars.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,567 copying build/lib/bff/io/utils.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,569 copying build/lib/bff/io/progress.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,571 copying build/lib/bff/io/mdp.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,574 copying build/lib/bff/io/__init__.py -> build/bdist.linux-armv7l/wheel/./bff/io 2026-04-03T13:03:31,575 copying build/lib/bff/tools.py -> build/bdist.linux-armv7l/wheel/./bff 2026-04-03T13:03:31,578 copying build/lib/bff/cli.py -> build/bdist.linux-armv7l/wheel/./bff 2026-04-03T13:03:31,580 copying build/lib/bff/plotting.py -> build/bdist.linux-armv7l/wheel/./bff 2026-04-03T13:03:31,583 creating build/bdist.linux-armv7l/wheel/bff/domain 2026-04-03T13:03:31,584 copying build/lib/bff/domain/specs.py -> build/bdist.linux-armv7l/wheel/./bff/domain 2026-04-03T13:03:31,586 copying build/lib/bff/domain/bias.py -> build/bdist.linux-armv7l/wheel/./bff/domain 2026-04-03T13:03:31,588 copying build/lib/bff/domain/trainset.py -> build/bdist.linux-armv7l/wheel/./bff/domain 2026-04-03T13:03:31,591 copying build/lib/bff/domain/__init__.py -> build/bdist.linux-armv7l/wheel/./bff/domain 2026-04-03T13:03:31,594 creating build/bdist.linux-armv7l/wheel/bff/qoi 2026-04-03T13:03:31,595 copying build/lib/bff/qoi/hbonds.py -> build/bdist.linux-armv7l/wheel/./bff/qoi 2026-04-03T13:03:31,597 copying build/lib/bff/qoi/data.py -> build/bdist.linux-armv7l/wheel/./bff/qoi 2026-04-03T13:03:31,600 copying build/lib/bff/qoi/rdf.py -> build/bdist.linux-armv7l/wheel/./bff/qoi 2026-04-03T13:03:31,602 copying build/lib/bff/qoi/analysis.py -> build/bdist.linux-armv7l/wheel/./bff/qoi 2026-04-03T13:03:31,604 copying build/lib/bff/qoi/__init__.py -> build/bdist.linux-armv7l/wheel/./bff/qoi 2026-04-03T13:03:31,606 copying build/lib/bff/qoi/routines.py -> build/bdist.linux-armv7l/wheel/./bff/qoi 2026-04-03T13:03:31,608 copying build/lib/bff/topology.py -> build/bdist.linux-armv7l/wheel/./bff 2026-04-03T13:03:31,612 creating build/bdist.linux-armv7l/wheel/bff/bayes 2026-04-03T13:03:31,613 copying build/lib/bff/bayes/likelihoods.py -> build/bdist.linux-armv7l/wheel/./bff/bayes 2026-04-03T13:03:31,615 copying build/lib/bff/bayes/gaussian_process.py -> build/bdist.linux-armv7l/wheel/./bff/bayes 2026-04-03T13:03:31,618 copying build/lib/bff/bayes/learning.py -> build/bdist.linux-armv7l/wheel/./bff/bayes 2026-04-03T13:03:31,620 copying build/lib/bff/bayes/results.py -> build/bdist.linux-armv7l/wheel/./bff/bayes 2026-04-03T13:03:31,623 copying build/lib/bff/bayes/kernels.py -> build/bdist.linux-armv7l/wheel/./bff/bayes 2026-04-03T13:03:31,625 copying build/lib/bff/bayes/utils.py -> build/bdist.linux-armv7l/wheel/./bff/bayes 2026-04-03T13:03:31,627 copying build/lib/bff/bayes/posterior.py -> build/bdist.linux-armv7l/wheel/./bff/bayes 2026-04-03T13:03:31,629 copying build/lib/bff/bayes/__init__.py -> build/bdist.linux-armv7l/wheel/./bff/bayes 2026-04-03T13:03:31,631 copying build/lib/bff/bayes/priors.py -> build/bdist.linux-armv7l/wheel/./bff/bayes 2026-04-03T13:03:31,634 copying build/lib/bff/__init__.py -> build/bdist.linux-armv7l/wheel/./bff 2026-04-03T13:03:31,636 creating build/bdist.linux-armv7l/wheel/bff/workflows 2026-04-03T13:03:31,638 copying build/lib/bff/workflows/simulate.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,640 copying build/lib/bff/workflows/configs.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,643 copying build/lib/bff/workflows/learn.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,645 copying build/lib/bff/workflows/md.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,647 copying build/lib/bff/workflows/train.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,649 copying build/lib/bff/workflows/validate.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,651 copying build/lib/bff/workflows/prepare.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,654 copying build/lib/bff/workflows/runsims.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,657 copying build/lib/bff/workflows/qoi.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,660 copying build/lib/bff/workflows/__init__.py -> build/bdist.linux-armv7l/wheel/./bff/workflows 2026-04-03T13:03:31,661 running install_egg_info 2026-04-03T13:03:31,666 Copying bfflearn.egg-info to build/bdist.linux-armv7l/wheel/./bfflearn-0.1.0.dev1-py3.11.egg-info 2026-04-03T13:03:31,681 running install_scripts 2026-04-03T13:03:31,696 creating build/bdist.linux-armv7l/wheel/bfflearn-0.1.0.dev1.dist-info/WHEEL 2026-04-03T13:03:31,699 creating '/tmp/pip-wheel-_jou59_5/.tmp-i6uwebhg/bfflearn-0.1.0.dev1-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-04-03T13:03:31,702 adding 'bff/__init__.py' 2026-04-03T13:03:31,703 adding 'bff/cli.py' 2026-04-03T13:03:31,705 adding 'bff/data.py' 2026-04-03T13:03:31,707 adding 'bff/plotting.py' 2026-04-03T13:03:31,709 adding 'bff/tools.py' 2026-04-03T13:03:31,712 adding 'bff/topology.py' 2026-04-03T13:03:31,714 adding 'bff/bayes/__init__.py' 2026-04-03T13:03:31,716 adding 'bff/bayes/gaussian_process.py' 2026-04-03T13:03:31,717 adding 'bff/bayes/kernels.py' 2026-04-03T13:03:31,720 adding 'bff/bayes/learning.py' 2026-04-03T13:03:31,721 adding 'bff/bayes/likelihoods.py' 2026-04-03T13:03:31,723 adding 'bff/bayes/posterior.py' 2026-04-03T13:03:31,724 adding 'bff/bayes/priors.py' 2026-04-03T13:03:31,726 adding 'bff/bayes/results.py' 2026-04-03T13:03:31,728 adding 'bff/bayes/utils.py' 2026-04-03T13:03:31,730 adding 'bff/domain/__init__.py' 2026-04-03T13:03:31,732 adding 'bff/domain/bias.py' 2026-04-03T13:03:31,734 adding 'bff/domain/specs.py' 2026-04-03T13:03:31,735 adding 'bff/domain/trainset.py' 2026-04-03T13:03:31,738 adding 'bff/io/__init__.py' 2026-04-03T13:03:31,739 adding 'bff/io/colvars.py' 2026-04-03T13:03:31,740 adding 'bff/io/commands.py' 2026-04-03T13:03:31,742 adding 'bff/io/cp2k.py' 2026-04-03T13:03:31,744 adding 'bff/io/logs.py' 2026-04-03T13:03:31,745 adding 'bff/io/mdp.py' 2026-04-03T13:03:31,747 adding 'bff/io/plumed.py' 2026-04-03T13:03:31,748 adding 'bff/io/progress.py' 2026-04-03T13:03:31,750 adding 'bff/io/schedulers.py' 2026-04-03T13:03:31,751 adding 'bff/io/utils.py' 2026-04-03T13:03:31,753 adding 'bff/mcmc/__init__.py' 2026-04-03T13:03:31,755 adding 'bff/mcmc/convergence.py' 2026-04-03T13:03:31,756 adding 'bff/mcmc/proposal.py' 2026-04-03T13:03:31,759 adding 'bff/mcmc/sampler.py' 2026-04-03T13:03:31,761 adding 'bff/qoi/__init__.py' 2026-04-03T13:03:31,762 adding 'bff/qoi/analysis.py' 2026-04-03T13:03:31,764 adding 'bff/qoi/data.py' 2026-04-03T13:03:31,765 adding 'bff/qoi/hbonds.py' 2026-04-03T13:03:31,767 adding 'bff/qoi/rdf.py' 2026-04-03T13:03:31,769 adding 'bff/qoi/routines.py' 2026-04-03T13:03:31,771 adding 'bff/workflows/__init__.py' 2026-04-03T13:03:31,775 adding 'bff/workflows/configs.py' 2026-04-03T13:03:31,776 adding 'bff/workflows/learn.py' 2026-04-03T13:03:31,778 adding 'bff/workflows/md.py' 2026-04-03T13:03:31,781 adding 'bff/workflows/prepare.py' 2026-04-03T13:03:31,783 adding 'bff/workflows/qoi.py' 2026-04-03T13:03:31,786 adding 'bff/workflows/runsims.py' 2026-04-03T13:03:31,787 adding 'bff/workflows/simulate.py' 2026-04-03T13:03:31,789 adding 'bff/workflows/train.py' 2026-04-03T13:03:31,790 adding 'bff/workflows/validate.py' 2026-04-03T13:03:31,798 adding 'bfflearn-0.1.0.dev1.dist-info/licenses/LICENSE' 2026-04-03T13:03:31,805 adding 'bfflearn-0.1.0.dev1.dist-info/METADATA' 2026-04-03T13:03:31,807 adding 'bfflearn-0.1.0.dev1.dist-info/WHEEL' 2026-04-03T13:03:31,808 adding 'bfflearn-0.1.0.dev1.dist-info/entry_points.txt' 2026-04-03T13:03:31,809 adding 'bfflearn-0.1.0.dev1.dist-info/top_level.txt' 2026-04-03T13:03:31,810 adding 'bfflearn-0.1.0.dev1.dist-info/RECORD' 2026-04-03T13:03:31,813 removing build/bdist.linux-armv7l/wheel 2026-04-03T13:03:31,927 Building wheel for bfflearn (pyproject.toml): finished with status 'done' 2026-04-03T13:03:31,935 Created wheel for bfflearn: filename=bfflearn-0.1.0.dev1-py3-none-any.whl size=131803 sha256=14318910e0c514ef151ee1390daef037d21efe3e1c6c539ae71244cfdfdeb5e9 2026-04-03T13:03:31,936 Stored in directory: /tmp/pip-ephem-wheel-cache-h8aw2kzf/wheels/de/09/78/47e846b92900724fa28c4f56367a4dd61145bb2e6afa776005 2026-04-03T13:03:31,972 Successfully built bfflearn 2026-04-03T13:03:31,978 Removed build tracker: '/tmp/pip-build-tracker-sqlpv0qr'