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update develop installation instructions

Open orbeckst opened this issue 1 year ago • 6 comments
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  • fix #368 (outdated develop installation instruction)
  • fix #361 (recommend mamba)

📚 Documentation preview 📚: https://mdanalysisuserguide--370.org.readthedocs.build/en/370/

orbeckst avatar Jul 17 '24 03:07 orbeckst

contributions to the PR are welcome!

orbeckst avatar Jul 17 '24 03:07 orbeckst

@orbeckst I might either take over or overwrite this PR later today - I had started working on my own update earlier.

IAlibay avatar Jul 17 '24 11:07 IAlibay

By all means.

orbeckst avatar Jul 17 '24 15:07 orbeckst

Where are you with the update that you mentioned @IAlibay ?

orbeckst avatar Jul 30 '24 20:07 orbeckst

@yuxuanzhuang if you want to do a quick minimal update to the instructions then we can at least get a quick-fix into the user guide.

This PR already introduces mamba; you could add your changes to this PR.

orbeckst avatar Jul 31 '24 18:07 orbeckst

Where are you with the update that you mentioned @IAlibay ?

Sorry I'm travelling / handling work things - I'll be free to do MDAnalysis things, including this, over the weekend.

IAlibay avatar Aug 01 '24 08:08 IAlibay

@yuxuanzhuang @RMeli we do need this PR to be merged so that we have some instructions for the hackathon. (Ideally we also get a release of the User Guide but that's probably a different thing.)

orbeckst avatar Aug 14 '24 04:08 orbeckst

And all tests pass

============= 19681 passed, 104 skipped, 12 xfailed, 2 xpassed, 47710 warnings in 473.45s (0:07:53) =============

so I am going to merge. Thanks for the reviews & contributions!

orbeckst avatar Aug 15 '24 03:08 orbeckst