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

Implement MP2024 recipes #2138

Draft
wants to merge 61 commits into
base: main
Choose a base branch
from
Draft

Implement MP2024 recipes #2138

wants to merge 61 commits into from

Conversation

Andrew-S-Rosen
Copy link
Member

@Andrew-S-Rosen Andrew-S-Rosen commented May 13, 2024

Summary of Changes

Implement the 2024 MP recipes. Closes #2019.

Requires:

Checklist

  • I have read the "Guidelines" section of the contributing guide. Don't lie! 😉
  • My PR is on a custom branch and is not named main.
  • I have added relevant, comprehensive unit tests.

Notes

  • Your PR will likely not be merged without proper and thorough tests.
  • If you are an external contributor, you will see a comment from @buildbot-princeton. This is solely for the maintainers.
  • When your code is ready for review, ping one of the active maintainers.

@Andrew-S-Rosen Andrew-S-Rosen marked this pull request as draft May 13, 2024 04:27
@Andrew-S-Rosen Andrew-S-Rosen added the waiting-for-upstream Issue or PR is waiting for an upstream code change. label May 13, 2024
Copy link

codecov bot commented May 13, 2024

Codecov Report

Attention: Patch coverage is 93.02326% with 3 lines in your changes missing coverage. Please review.

Project coverage is 98.30%. Comparing base (bd45301) to head (d1b8f29).
Report is 14 commits behind head on main.

Files with missing lines Patch % Lines
src/quacc/schemas/vasp.py 83.33% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #2138      +/-   ##
==========================================
- Coverage   98.38%   98.30%   -0.09%     
==========================================
  Files          85       85              
  Lines        3477     3476       -1     
==========================================
- Hits         3421     3417       -4     
- Misses         56       59       +3     

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

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
VASP waiting-for-upstream Issue or PR is waiting for an upstream code change.
Development

Successfully merging this pull request may close these issues.

Add support for the new MP 2024 workflows to VASP
1 participant