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Remove Python 3.10 from CI, add SPEC0 badge #359

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merged 4 commits into from
Feb 15, 2025
Merged

Remove Python 3.10 from CI, add SPEC0 badge #359

merged 4 commits into from
Feb 15, 2025

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dotsdl
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@dotsdl dotsdl commented Feb 13, 2025

Closes #353.

@dotsdl dotsdl requested a review from ianmkenney February 13, 2025 21:55
@@ -27,7 +27,6 @@ jobs:
matrix:
os: ['ubuntu']
python-version:
- "3.10"
- "3.11"
- "3.12"

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Do we also want to add 3.13 here?

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We can! I believe the openfe stack doesn't support 3.13 yet (due to ambertools IIRC), so it might just fail systematically.

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dotsdl commented Feb 13, 2025

Getting the following when trying to test against Python 3.13: https://github.com/OpenFreeEnergy/alchemiscale/actions/runs/13317902605/job/37196314556?pr=359#step:3:35

 error    libmamba Could not solve for environment specs
      The following packages are incompatible
      ├─ openmmforcefields >=0.14.1  is installable and it requires
      │  └─ python >=3.10,<3.13  with the potential options
      │     ├─ python [3.10.0|3.10.1|...|3.12.8], which can be installed;
      │     └─ python [3.12.0rc3|3.13.0rc1|3.13.0rc2|3.13.0rc3] would require
      │        └─ _python_rc, which does not exist (perhaps a missing channel);
      └─ python 3.13**  is not installable because there are no viable options
         ├─ python [3.12.0rc3|3.13.0rc1|3.13.0rc2|3.13.0rc3], which cannot be installed (as previously explained);
         └─ python [3.13.0|3.13.1] conflicts with any installable versions previously reported.
  critical libmamba Could not solve for environment specs

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codecov bot commented Feb 13, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 80.49%. Comparing base (5b5cbd6) to head (3c4377e).
Report is 5 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #359      +/-   ##
==========================================
- Coverage   80.52%   80.49%   -0.03%     
==========================================
  Files          27       27              
  Lines        3743     3743              
==========================================
- Hits         3014     3013       -1     
- Misses        729      730       +1     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@hmacdope
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Trying 3.13 for openmmff here: openmm/openmmforcefields#362

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IAlibay commented Feb 14, 2025

@dotsdl unfortunately no py3.13 for openfe for a while to go. We're blocked by a couple of upstream dependencies, one of which I'm in charge of but haven't been able to find the time to deal with it.

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dotsdl commented Feb 14, 2025

Thanks @hmacdope and @IAlibay, I figured this was the case but figured we'd try it out. Since it's known that we won't be able to support Python 3.13 for some time I'll remove it from our CI testing here.

@dotsdl dotsdl requested a review from ianmkenney February 14, 2025 03:52
@dotsdl dotsdl merged commit 6821dbf into main Feb 15, 2025
5 of 6 checks passed
@dotsdl dotsdl deleted the adopt-spec0 branch February 15, 2025 00:14
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Drop Python 3.10 from support in line with SPEC 0
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