OpenFreeEnergy / OpenFreeEnergy/feflow
Migrate openmm specific settings from upstream
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 20
- Forks
- 4
- PR merge metrics
- No merged PRs in 30d
Description
We have discussed about migrating the OpenMM specific settings such as https://github.com/OpenFreeEnergy/gufe/blob/ae96d30952a4e000fcb690443a6dbd79ec31756a/gufe/settings/models.py#L64C7-L64C13 to this project/repo.
Contributor guide
No contributing guide indexed for this repository
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 reading gufe/settings/models.py at the linked settings definition and compare it with the settings entry points in feflow. Identify which OpenMM-specific settings belong in this repository and verify that the migration is represented consistently in feflow; the issue names no tests or destination files.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- tooling
- Issue type
- Refactor
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100