Conversation
CompRhys
commented
Mar 10, 2026
| # dependencies = ["scipy>=1.15", "mace-torch>=0.3.12"] | ||
| # dependencies = [ | ||
| # "torch_sim_atomistic[mace, io]", | ||
| # "mace-torch @ git+https://github.com/ACEsuit/mace.git@develop", |
Member
Author
There was a problem hiding this comment.
can remove all these once a new mace release comes. I would guess that we should delay to merge this until then but that may not be for a few months
CompRhys
commented
Mar 10, 2026
| raw_mace_mp = mace_mp(model=MaceUrls.mace_mp_small, return_raw_model=True) | ||
| raw_mace_off = mace_off(model=MaceUrls.mace_off_small, return_raw_model=True) | ||
| DTYPE = torch.float64 | ||
| def _download_with_retry(fn: Callable, **kwargs: Any) -> Any: |
Member
Author
There was a problem hiding this comment.
this didn't help to make the test not flaky.
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
1 participant
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Uses interface introduced in ACEsuit/mace#1390. Awaiting release for minimal pin