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CI: Drop workaround to pass pymatgen related failed tests #6694

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merged 4 commits into from
Jan 10, 2025

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@unkcpz unkcpz commented Jan 10, 2025

materialsproject/pymatgen#4243 they also make a release for py3.9, so we don't need to have this workaround.

@unkcpz unkcpz force-pushed the adapt-with-pymatgen-monty-fix branch from 10b5462 to 99d663c Compare January 10, 2025 09:34
@unkcpz unkcpz requested a review from agoscinski as a code owner January 10, 2025 09:34
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unkcpz commented Jan 10, 2025

I don't know if I did it right with uv, I delete uv and rerun uv lock, the monty resolved to use the latest version which is good. But it seems has a lines of changes for other dependencies. Is that all expected? @danielhollas

My understanding was the uv will not override the version that is already in the lock file even there are new version of some dependencies out there, it require to remove the lockfile and rerun from scratch to get everything updated, correct? If so (I may totally wrong) we may need a bot to generate lock file periodically for us.

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codecov bot commented Jan 10, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 77.99%. Comparing base (5e8bbe1) to head (e978e2c).
Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main    #6694   +/-   ##
=======================================
  Coverage   77.99%   77.99%           
=======================================
  Files         563      563           
  Lines       41761    41761           
=======================================
  Hits        32567    32567           
  Misses       9194     9194           

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danielhollas commented Jan 10, 2025

To update a single package in the lockfile, you can run

❯ uv lock --upgrade-package monty
Resolved 262 packages in 13.45s
Updated monty v2024.10.21, v2025.1.3 -> v2025.1.9

To update all packages in the lockfile, run:

uv lock --upgrade

materialsproject/pymatgen#4243 they also make a release for py3.9, so we don't need to have this workaround.

That's awesome. 🎉

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The failing test might be due to ipython update, please try to update only the monty dependency.

@unkcpz unkcpz force-pushed the adapt-with-pymatgen-monty-fix branch from 3a6eb94 to de537b1 Compare January 10, 2025 13:44
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unkcpz commented Jan 10, 2025

@danielhollas, I revert the uv.lock and run with only upgrade monty, all works now. But I think IPython failed test is worth to check. I'll open a PR to manifest the issue. This one is ready to go.

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@unkcpz would you mind updating your uv installation to the latest version? (uv self update). Your diff looks different from what I am seeing locally.

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LGTM, thanks!!!

@unkcpz unkcpz merged commit d17c293 into aiidateam:main Jan 10, 2025
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@unkcpz unkcpz deleted the adapt-with-pymatgen-monty-fix branch January 10, 2025 17:10
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unkcpz commented Jan 10, 2025

Thanks @danielhollas

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2 participants