Add pyproject.toml with fixed mdanalysis vesrion #1
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orbeckst
reviewed
Dec 15, 2025
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| requires-python = ">=3.13" | ||
| dependencies = [ | ||
| "mdanalysis[analysis,parallelization]==2.10.0", |
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Do you really want to pin it to a version? How do you then want to test recently parallelized analysis classes?
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Oh I don't mind using any particular version or even particular git commit, it's only a boilerplate.
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This PR:
pyproject.tomlshared for everyoneuv init --lib