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MDAnalysis / MDAKits

The MDAnalysis Toolkits Registry
https://mdakits.mdanalysis.org
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add lipidorderkit to mdanalysis #149

Closed ricard1997 closed 1 month ago

ricard1997 commented 2 months ago

This code allows for the computation of lipid order parameters for all-atom MDAsimulation for researchers that study membrane simulations.

IAlibay commented 2 months ago

CI is failing due to a typo - I opened a PR in the mdakit to fix this.

ricard1997 commented 2 months ago

CI is failing due to a typo - I opened a PR in the mdakit to fix this.

I have accepted the PR. Let me know if something else is needed.

lilyminium commented 2 months ago

Thanks for updating the file @ricard1997! All looking pretty good -- however I think CI is failing due to not finding test files, which I hopefully fixed in https://github.com/ricard1997/lipidorderkit/pull/3.

ricard1997 commented 2 months ago

Thanks for updating the file @ricard1997! All looking pretty good -- however I think CI is failing due to not finding test files, which I hopefully fixed in ricard1997/lipidorderkit#3.

Thanks for the help with the problem with pytest! I have solved the problem with the CI, and think everything is finally ready. Thanks for the feedback!