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Update minimum monty
version, allow newer pydantic
#720
Conversation
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 |
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? |
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 |
Thanks @JaGeo. Downgrading pymatgen seems to work for now. I'll merge this PR and open an issue about the pymatgen version. |
Thanks! We are still working on the MP integration of the Lobster data and this required some changes ... |
Codecov ReportAll modified and coverable lines are covered by tests ✅
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 |
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.