Install MDAnalysis on ReadTheDocs via pip

[lilyminium]

Fixes #3070

Changes made in this Pull Request:

• install via pip install package/ to build current docs.
• Works, as tested on Add del_TopologyAttr #3069 https://readthedocs.org/projects/mdanalysis/builds/12528298/

Not sure why setuptools (python package/setup.py install) doesn't work, but, it doesn't.

Sorry @orbeckst 🤦‍♀️

PR Checklist

• Tests?
• Docs?
• CHANGELOG updated?
• Issue raised/referenced?

[codecov]

Codecov Report

Merging #3071 (c3fc3bc) into develop (2223363) will decrease coverage by 0.06%.
The diff coverage is n/a.

@@             Coverage Diff             @@
##           develop    #3071      +/-   ##
===========================================
- Coverage    93.17%   93.10%   -0.07%     
===========================================
  Files          171      186      +15     
  Lines        22729    24737    +2008     
  Branches      3216     3216              
===========================================
+ Hits         21177    23031    +1854     
- Misses        1504     1658     +154     
  Partials        48       48              

Impacted Files	Coverage Δ
lib/__init__.py	100.00% <0.00%> (ø)
analysis/__init__.py	100.00% <0.00%> (ø)
formats/__init__.py	100.00% <0.00%> (ø)
core/__init__.py	100.00% <0.00%> (ø)
visualization/__init__.py	100.00% <0.00%> (ø)
__init__.py	91.89% <0.00%> (ø)
transformations/__init__.py	100.00% <0.00%> (ø)
coordinates/base.py	95.12% <0.00%> (ø)
datafiles.py	21.42% <0.00%> (ø)
util.py	89.47% <0.00%> (ø)
... and 5 more

---

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[cbouy]

If I may "intrude", since I'm in the process of using readthedocs for another project: RTD will use whatever you specified in the conda environment.yml file to set up the python env, and ignore both version and requirements parameters under the python parameter in the readthedocs.yml file. So you should probably set the python version in the env.yml file and remove the version line in the readthedocs file if you really want a specific version.

[lilyminium]

Thank you @cbouy!

[orbeckst]

When I looked at the link https://readthedocs.org/projects/mdanalysis/builds/12528298/ I see this confusing message

The project ParmEd doesn't have a valid webhook set up, commits won't trigger new builds for this project. See the project integrations for more information.

Why is ParmEd mentioned here?

[orbeckst]

It's amazing how much nitty-gritty detail there is to "just make stuff work". Thank you so much for finding it out and actually making it work.

[lilyminium]

Thank you for the reviews @richardjgowers and @orbeckst! So I think that RTD kindly gives you that message if your ParmEd project is not set up with a webhook, even if you're viewing another project -- could you have a look at a different project to see if that's the case? For what it's worth this is how it appears to me:

I think this may also only happen if you are logged in and an owner of MDAnalysis and a project called ParmEd at the time.

[orbeckst]

You’re right – I see it on my login page, too. Hence has no bearing on your PR. Sorry for making you explain this to me. (The parmed was my emergency solution when parmed docs disappeared.)

[lilyminium]

Thank you for checking! I did see more than a few of these messages when I was trying to work out ReadTheDocs myself 😅