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

Remove unnecessary data storage from dgl graphs in MGLDataset #236

Merged
merged 20 commits into from
Mar 3, 2024

Conversation

kenko911
Copy link
Contributor

@kenko911 kenko911 commented Mar 1, 2024

Summary

Remove unnecessary data storage from dgl graphs in MGLDataset

Checklist

  • Google format doc strings added. Check with ruff.
  • Type annotations included. Check with mypy.
  • Tests added for new features/fixes.
  • If applicable, new classes/functions/modules have duecredit @due.dcite decorators to reference relevant papers by DOI (example)

Tip: Install pre-commit hooks to auto-check types and linting before every commit:

pip install -U pre-commit
pre-commit install

@kenko911 kenko911 requested a review from shyuep as a code owner March 1, 2024 02:48
@kenko911
Copy link
Contributor Author

kenko911 commented Mar 1, 2024

The only unit test fails coming from test_entrypoint in test_cif.py. This is strange that I tested it with my local machine using pymatgen 2024.2.8 and it passed. It seems the issues come from materialsproject/pymatgen#3664

Copy link

codecov bot commented Mar 3, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 98.80%. Comparing base (cb3f834) to head (f89e42e).

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #236   +/-   ##
=======================================
  Coverage   98.79%   98.80%           
=======================================
  Files          33       33           
  Lines        2749     2750    +1     
=======================================
+ Hits         2716     2717    +1     
  Misses         33       33           

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

@kenko911
Copy link
Contributor Author

kenko911 commented Mar 3, 2024

I just updated the latest version of pymatgen and now it works!!

@kenko911 kenko911 merged commit 08a0338 into materialsvirtuallab:main Mar 3, 2024
5 checks passed
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.

None yet

1 participant