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glotzerlab / signac-examples

Examples for the signac framework.
https://signac.io/
BSD 3-Clause "New" or "Revised" License
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Update example notebooks for signac 2. #59

Closed bdice closed 1 year ago

bdice commented 1 year ago

This PR updates the example notebook contents for signac 2.

I would appreciate help rewriting notebook 106 to use HOOMD 3.

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bdice commented 1 year ago

Conda exited with code 137 here: https://app.circleci.com/pipelines/github/glotzerlab/signac-examples/256/workflows/b911701e-f97e-4227-9054-a65418d54358/jobs/528

That's an "out of memory" error. I think we need to overhaul the signac-examples CI to use GitHub Actions and install with mamba. However, I think that should be prioritized after signac 2.0. For now, I would like to consider merging this with failing CI, since we know the rewritten notebooks can't be run until signac 2.0 is released. We need the new notebooks in our docs at the same time that signac 2.0 is released, and then we'll need to rewrite the example projects after the 2.0 release. @glotzerlab/signac-committers What do you think?

b-butler commented 1 year ago

I would appreciate help rewriting notebook 106 to use HOOMD 3.

Done.

We should wait to merge until signac 2.0 is out and we can check the tests then.

bdice commented 1 year ago

@b-butler Thanks! I can re-render the notebooks with the new HOOMD and push again.

bdice commented 1 year ago

This should be fixed up now. I think it's ready to merge (CI will fail as expected).