Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Csse pyd2 510 Part 2 #348

Merged
merged 2 commits into from
Sep 11, 2024
Merged

Csse pyd2 510 Part 2 #348

merged 2 commits into from
Sep 11, 2024

Conversation

loriab
Copy link
Collaborator

@loriab loriab commented Sep 10, 2024

Description

  • pick over remaining relevant parts of @Lnaden Pydantic v2 Overhaul [DNM yet] #321 (below), then patch 'em up. so first commit is from Pydantic v2 Overhaul [DNM yet] #321 (note not a literal cherry-pick like Csse pyd2 510 #347) and second commit a1f7dcc are the fixes to get it working.
  • Fix up DFTFunctional, CPUInfo to be pydantic v2 API only. (afaik, this was an effort that didn't go anywhere. they're not used in qcng. Anyone know of usage in the wild downstream?)
  • Fix up Datum to be pydantic v2 API only. This is well-used, esp for NIST physical constant, but afaik it's never within a QCSchema model, so safe to support only one version.
  • Fix up serialization of models. Tentatively, trying an in-class try/except/try/except to handle serializing both pyd v1 and v2 API models. It works for tests, but we'll see about real life.

Changelog description

Status

  • Code base linted
  • Ready to go
  • DON'T SQUASH

@loriab loriab force-pushed the csse_pyd2_510_pt2_more branch from 8e5e9f5 to a1f7dcc Compare September 10, 2024 21:48
Copy link

codecov bot commented Sep 10, 2024

Codecov Report

Attention: Patch coverage is 61.95652% with 35 lines in your changes missing coverage. Please review.

Project coverage is 87.27%. Comparing base (8f2d8b5) to head (a1f7dcc).
Report is 5 commits behind head on next2024.

Additional details and impacted files

@loriab
Copy link
Collaborator Author

loriab commented Sep 10, 2024

Requesting review @davidbrownell, @krachwal, @rfievet, @ketanbj, @varun646, @jyoung3131

@loriab loriab merged commit d54ebf2 into MolSSI:next2024 Sep 11, 2024
16 checks passed
@loriab loriab deleted the csse_pyd2_510_pt2_more branch September 11, 2024 13:30
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

3 participants