Python 3.12: No module named 'pkg_resources'

[njzjz]

  File "/opt/hostedtoolcache/Python/3.12.0/x64/lib/python3.12/site-packages/gromacs/__init__.py", line 218, in <module>
    from . import config
  File "/opt/hostedtoolcache/Python/3.12.0/x64/lib/python3.12/site-packages/gromacs/config.py", line 266, in <module>
    from pkg_resources import resource_filename, resource_listdir
ModuleNotFoundError: No module named 'pkg_resources'

pkg_resources is a part of setuptools, and https://github.com/python/cpython/issues/95299 removes setuptools from Python environments. It needs to be manually added to the requirements.

[orbeckst]

Probably better to replace it with importlib anyway.

[orbeckst]

p.s.: PRs welcome :-)

[jandom]

'importlib' is not my forte, so i'm not going to venture into this, unless with a help from ChatGPT... For now can we get started with declaring the dependency on setuptools? That's easy enough to add.

I've had issues reproducing the bug because setuptools are installed (somehow) when creating a developer env using the test_env.yaml

[orbeckst]

Band-aid is good enough — if you have a fix, please do a PR!

In MDAnalysisData we recently did the replacement https://github.com/MDAnalysis/MDAnalysisData/pull/76

path = importlib.resources.files('MDAnalysisData') / description_dir / filename

[jandom]

Okay, here is my proposed band-aid https://github.com/Becksteinlab/GromacsWrapper/pull/271/