Type checking fails due to new version of numpy

[awvwgk]

Run mypy .
  mypy .
  shell: /home/runner/work/_temp/setup-micromamba/micromamba-shell {0}
  env:
    MAMBA_ROOT_PREFIX: /home/runner/micromamba
    MAMBA_EXE: /home/runner/micromamba-bin/micromamba
    CONDARC: /home/runner/work/_temp/setup-micromamba/.condarc
/home/runner/micromamba/envs/skala/lib/python3.13/site-packages/numpy/__init__.pyi:737: error: Type statement is only supported in Python 3.12 and greater  [syntax]
Found 1 error in 1 file (errors prevented further checking)

[awvwgk]

Jan @jhrmnn, you run into this issue as well in pyberny/pyberny#167, do you have a pointer to resolve this?

[kjh-giesbertz]

The newest version of numpy (2.5) is currently not yet supported by the current highest version of ase (3.29.0), so we cannot support it yet. But I saw on the master that they already are fixing it, since arr.shape = ... assignments are being replaced by arr.reshape, so I expect this to be fixed in the near future. I think for now we have to restrict the numpy version to <2.5 (#84) till ase gets updated.

[awvwgk]

Can we keep track of the ASE & numpy imcompatibility in another issue to not loose track of it?

[jhrmnn]

Jan @jhrmnn, you run into this issue as well in jhrmnn/pyberny#167, do you have a pointer to resolve this?

I'm amazed you somehow saw that. I ended up simply relaxing the mypy's python version pin: pyberny/pyberny#165 (ignore the PR description, see the code chagnes)