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choderalab / espaloma

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
https://docs.espaloma.org/en/latest/
MIT License
202 stars 23 forks source link

Branch to update to new dgl version #179

Closed mikemhenry closed 10 months ago

mikemhenry commented 11 months ago

I am still building DGL packages, so right now only testing what I have, which is a python 3.9 build. We have some errors to fix to get it to work with dgl 1.1.0

mikemhenry commented 11 months ago

Okay sorry for the noise, the test failures now in CI are from API changes in DGL

mikemhenry commented 11 months ago

Sweet, CPU builds work!

mikemhenry commented 10 months ago

Some links to migrating the API https://docs.dgl.ai/en/0.8.x/generated/dgl.function.copy_src.html https://github.com/dmlc/dgl/blob/master/docs/migrate-guide-0.5.md

codecov-commenter commented 10 months ago

Codecov Report

:exclamation: No coverage uploaded for pull request base (main@dd8ebb7). Click here to learn what that means. The diff coverage is n/a.

mikemhenry commented 10 months ago

OSX failures right now are from the osx builds missing from the label I am using, as soon as the ubuntu ones finish I can re-run the failed osx builds and it should be fine, but I don't want to interrupt the current linux builds