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Update minimum monty version, allow newer pydantic #720

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merged 7 commits into from
Feb 24, 2024

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mkhorton
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Thanks to @gpetretto's PR in monty, it seems like we can allow atomate2 to use the latest pydantic. Thanks to Robert Pinsler for notification.

@utf utf mentioned this pull request Feb 15, 2024
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utf commented Feb 15, 2024

Thanks @mkhorton!

I think @esoteric-ephemera's recent PR to emmet should fix the final test: materialsproject/emmet#937

I've also set up a new issue to track the path to the next atomate2 release here: #721

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utf commented Feb 24, 2024

Hi @JaGeo and @naik-aakash, updating pymatgen and lobsterpy to the latest versions seems to have broken the phonon and lobster workflows. Are you able to take a look?

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JaGeo commented Feb 24, 2024

LOBSTER is on our todo. Phonon not yet. Magnetic moments in the PhononAtoms object seem to break the workflow now. I will try to do it next week

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utf commented Feb 24, 2024

Thanks @JaGeo. Downgrading pymatgen seems to work for now. I'll merge this PR and open an issue about the pymatgen version.

@utf utf enabled auto-merge February 24, 2024 19:32
@utf utf disabled auto-merge February 24, 2024 19:32
@utf utf enabled auto-merge (squash) February 24, 2024 19:32
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JaGeo commented Feb 24, 2024

Thanks! We are still working on the MP integration of the Lobster data and this required some changes ...

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codecov bot commented Feb 24, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 76.21%. Comparing base (62ae659) to head (addc042).
Report is 10 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #720      +/-   ##
==========================================
+ Coverage   76.19%   76.21%   +0.02%     
==========================================
  Files          87       88       +1     
  Lines        7178     7189      +11     
  Branches     1057     1051       -6     
==========================================
+ Hits         5469     5479      +10     
- Misses       1388     1393       +5     
+ Partials      321      317       -4     

@utf utf merged commit f6d80f8 into materialsproject:main Feb 24, 2024
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@utf utf added the fix Bug fix PR label Feb 29, 2024
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3 participants