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MDAnalysis / membrane-curvature

MDAnalysis tool to calculate membrane curvature.
https://membrane-curvature.readthedocs.io/
GNU General Public License v3.0
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Comply with PEP518 #119

Closed ojeda-e closed 8 months ago

ojeda-e commented 8 months ago

Description

Fixes #108 and #104
Add pyproject,toml to comply with PEP518. Deleted unnecessary files:

Status

codecov[bot] commented 8 months ago

Codecov Report

Merging #119 (5d02d31) into main (0cf4856) will not change coverage. Report is 1 commits behind head on main. The diff coverage is 100.00%.

Additional details and impacted files
ojeda-e commented 8 months ago

Hi @IAlibay, @hmacdope Apologies for the slow response here. I added an initial version of the pyproject.toml for your review. I added some comments below since I wasn't sure the changes here included are the ones that are expected to comply with the MDAkits.

IAlibay commented 8 months ago

Oops not sure what happened with the tests, sorry! I'll try to have a stab at fixing up whatever I messed up a bit later today.

ojeda-e commented 8 months ago

No worries, thanks for your help here. I think it's just a missing package for the metadata when running tests. I'll give a try.

IAlibay commented 8 months ago

@ojeda-e looks like the package name internally is "MembraneCurvature" instead of "membrane_curvature" is that intended?

ojeda-e commented 8 months ago

I was checking that line exactly. I think there was always a messy naming here with all the variations of "membrane" + "curvature" and the names are inconsistent across the package. :/

ojeda-e commented 8 months ago

Sounds good, thanks for your help and pointers here @IAlibay Will just reverse the line I added and it will be ready for coredevs to review.

ojeda-e commented 8 months ago

With 5d02d31 this PR would also close #117. @IAlibay would please help me with reviewing AUTHORS? Hopefully I didn't miss anything there,