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Reorganize dependencies #3497

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merged 3 commits into from
Jan 6, 2022
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Changes made in this Pull Request:

  • Reorganizes dependencies in setup-deps/action.yaml to move the CONDA_MIN_DEPS, CONDA_OPT_DEPS etc. into environment variables

This is just a cosmetic change and shouldn't change anything. Tests are failing because I haven't rebased yet to fix #3494.

Test run here: https://github.com/lilyminium/mdanalysis/runs/4725421554?check_suite_focus=true

Link specifically goes to a run where full dependencies are not installed; you can click on install_deps > Run # setup full variable > env to inspect CONDA_MIN_DEPS, CONDA_OPT_DEPS, and so on.

PR Checklist

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

@lilyminium lilyminium requested a review from IAlibay January 6, 2022 10:20
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codecov bot commented Jan 6, 2022

Codecov Report

Merging #3497 (50f34e7) into cron-workflow (a22aefa) will decrease coverage by 4.02%.
The diff coverage is n/a.

Impacted file tree graph

@@                Coverage Diff                @@
##           cron-workflow    #3497      +/-   ##
=================================================
- Coverage          93.77%   89.74%   -4.03%     
=================================================
  Files                176      167       -9     
  Lines              23214    21775    -1439     
  Branches            3302        0    -3302     
=================================================
- Hits               21769    19543    -2226     
- Misses              1394     2232     +838     
+ Partials              51        0      -51     
Impacted Files Coverage Δ
package/MDAnalysis/converters/RDKitParser.py 14.39% <0.00%> (-81.82%) ⬇️
package/MDAnalysis/converters/RDKit.py 16.98% <0.00%> (-81.09%) ⬇️
package/MDAnalysis/analysis/hole2/hole.py 14.47% <0.00%> (-60.00%) ⬇️
package/MDAnalysis/converters/OpenMM.py 37.68% <0.00%> (-59.43%) ⬇️
package/MDAnalysis/converters/OpenMMParser.py 42.85% <0.00%> (-57.15%) ⬇️
package/MDAnalysis/analysis/hole2/utils.py 25.78% <0.00%> (-50.32%) ⬇️
package/MDAnalysis/analysis/psa.py 79.14% <0.00%> (-10.14%) ⬇️
package/MDAnalysis/topology/guessers.py 92.24% <0.00%> (-6.98%) ⬇️
package/MDAnalysis/core/selection.py 92.81% <0.00%> (-5.99%) ⬇️
package/MDAnalysis/analysis/align.py 92.95% <0.00%> (-5.37%) ⬇️
... and 14 more

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lgtm thanks @lilyminium

@IAlibay IAlibay merged commit 4062805 into MDAnalysis:cron-workflow Jan 6, 2022
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3 participants