ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
Revisit AEC/BAC notebooks after ARC update, and possibly add notebooks to CI?
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- Dominant language
- Python
- Stars
- 127
- Forks
- 160
- Avg merge
- 6d 2h
- Merged PRs (30d)
- 2
Description
As per #694, we should double-check the AEC/BAC notebooks. As of writing, we are unable to do this because ARC is required but ARC is currently not compatible with Python 3.7.
Once ARC is updated, we should just go ahead and make sure those notebooks we're supplying are still good.
We may want to add some of the notebooks to the CI suite to automatically catch any errors in the future.
Contributor guide
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by reviewing issue #694 and the AEC/BAC notebooks once ARC supports Python 3.7. Check that the supplied notebooks still run correctly, then assess which notebooks belong in the CI suite. Done means the notebooks are verified and any agreed CI coverage passes automatically.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- jupyter-notebook, python
- Domain
- ci-cd, testing
- Issue type
- Feature
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 28/100