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[HOLD 2.7.0] Add pandas to nightly wheel installs#4239

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IAlibay merged 6 commits intodevelopfrom
issue-4238
Aug 16, 2023
Merged

[HOLD 2.7.0] Add pandas to nightly wheel installs#4239
IAlibay merged 6 commits intodevelopfrom
issue-4238

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@IAlibay
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@IAlibay IAlibay commented Aug 14, 2023

Fixes #4238

Changes made in this Pull Request:

PR Checklist

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

Developers certificate of origin


📚 Documentation preview 📚: https://mdanalysis--4239.org.readthedocs.build/en/4239/

Comment thread .github/workflows/gh-ci-cron.yaml Outdated
schedule:
# 3 am Tuesdays and Fridays
- cron: "0 3 * * 2,5"
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Remove before merge

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github-actions Bot commented Aug 14, 2023

Linter Bot Results:

Hi @IAlibay! Thanks for making this PR. We linted your code and found the following:

There are currently no issues detected! 🎉

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codecov Bot commented Aug 14, 2023

Codecov Report

Patch coverage: 100.00% and no project coverage change.

Comparison is base (b21478f) 93.62% compared to head (8c237b4) 93.62%.

Additional details and impacted files
@@            Coverage Diff             @@
##           develop    #4239     +/-   ##
==========================================
  Coverage    93.62%   93.62%             
==========================================
  Files          179      193     +14     
  Lines        24199    25305   +1106     
  Branches      4064     4064             
==========================================
+ Hits         22657    23693   +1036     
- Misses        1026     1096     +70     
  Partials       516      516             
Files Changed Coverage Δ
...DAnalysis/analysis/hydrogenbonds/hbond_analysis.py 97.22% <100.00%> (+0.01%) ⬆️

... and 14 files with indirect coverage changes

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IAlibay commented Aug 14, 2023

Logging issue happens whether or not nightly pandas is installed, looks like that's a separate isssue.

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IAlibay commented Aug 14, 2023

Timeouts aside, this should be good to go if anyone wants to review - CI is returning green for numpy_and_scipy_dev (https://github.com/MDAnalysis/mdanalysis/actions/runs/5861485404/job/15891653149?pr=4239) so I'm truning off the PR trigger.

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lgtm, thanks @IAlibay

(If I'm following correctly, is this something where we expect to be able come back remove pandas later, after figuring out the accidental-dependency?)

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IAlibay commented Aug 15, 2023

(If I'm following correctly, is this something where we expect to be able come back remove pandas later, after figuring out the accidental-dependency?)

Yeah eventually, it's probably being pulled in by one of the core dependencies we've been wanting to get rid of (biopython, networkx, or matplotlib).

P.S. Thanks for the review, I won't merge until we get 2.7.0 started.

@IAlibay IAlibay changed the title Add pandas to nightly wheel installs [HOLD 2.7.0] Add pandas to nightly wheel installs Aug 15, 2023
@IAlibay IAlibay merged commit 212bf03 into develop Aug 16, 2023
@IAlibay IAlibay deleted the issue-4238 branch August 16, 2023 09:19
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[future] NINF removal in python 2.0 causing cron ci to fail

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