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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
203 stars 23 forks source link

Fix CI -- updated #152

Closed ijpulidos closed 1 year ago

ijpulidos commented 1 year ago

Pins dgl version to 0.9.0 to try fixing the CI

mikemhenry commented 1 year ago

See if pinning 0.8.2 works, that is the version we are trying to get on conda-forge right now

ijpulidos commented 1 year ago

See if pinning 0.8.2 works, that is the version we are trying to get on conda-forge right now

Is there a special reason why 0.8.2? I think @kntkb is using 0.9.0 and it's working for him. I think the higher we can get here the better.

mikemhenry commented 1 year ago

0.8.2 is what we are trying to get on DGL first since I was able to build that, we will get newer versions up once we get 0.8.2 going. I can make a PR just to test that question.