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MDAnalysis / PathSimAnalysis

An MDAKit that calculates the geometric similarity of molecular dynamics trajectories using path metrics such as the Hausdorff or Fréchet distances.
https://mdanalysis.org/PathSimAnalysis
GNU General Public License v2.0
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Automated deployment to PyPI on release #3

Closed ianmkenney closed 11 months ago

ianmkenney commented 11 months ago

The package should automatically be uploaded to PyPI when a release is made.

ianmkenney commented 11 months ago

@IAlibay Could you take a look at the deploy.yaml workflow? I took it from mdaencore, which you made. If this does the job, then it should be straightforward to move to other MDAKits.

codecov[bot] commented 11 months ago

Codecov Report

Merging #3 (a01de02) into main (3267dee) will not change coverage. The diff coverage is n/a.

Additional details and impacted files
IAlibay commented 11 months ago

@IAlibay Could you take a look at the deploy.yaml workflow? I took it from mdaencore, which you made. If this does the job, then it should be straightforward to move to other MDAKits.

By other MDAKit you mean "other Cython using kits" right? i.e. cibuildwheels isn't suitable for pure python kits

ianmkenney commented 11 months ago

I figured it wouldn't be the best reference for that reason, I'll just rewrite from scratch then! Thanks

IAlibay commented 11 months ago

I figured it wouldn't be the best reference for that reason, I'll just rewrite from scratch then! Thanks

Please don't rewrite from scratch and use the reusable action - it is there so we can align across all our repos