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Update script to strip numpy typing and re-execute notebooks #408
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Check out this pull request on See visual diffs & provide feedback on Jupyter Notebooks. Powered by ReviewNB |
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Re-executed some notebooks to reflect the numpy types that now get returned; the failing ParmEd notebook (which is erroring due to a baked-in incompatibility with numpy >= 2.0 in mda itself) is going to be tricky to resolve without down-pinning numpy currently, seems easier to patch with MDAnalysis/mdanalysis#4883 in the main repo instead. |
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Going to quickly self-merge to fix CI. |
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Never mind, at some point we decided self-merging was a bad idea 😅 |
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@RMeli or @MDAnalysis/docteam would any of you have time to take a quick look at this? This will unblock CI for @namiroues's work too :-) |
RMeli
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Thanks for fixing the CI @lilyminium! I had a quick look and looks alright to me.
Fixes #407
This updates the script that generates the default values of topology attrs to strip the NumPy typing, since that doesn't seem very relevant. (Also,
np.False_generates an artificial link when rendered with sphinx.)Edit: it also re-executes some notebooks to update to reflect the numpy types that now get returned.
📚 Documentation preview 📚: https://mdanalysisuserguide--408.org.readthedocs.build/en/408/