OpenFreeEnergy / OpenFreeEnergy/openfe
user testing task-based execution
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
We need to cover:
- executing all protocol types
- resuming
- running locally and HPC
- generally try to break things in a practical way (moving the task db and warehouse to a different directory, etc.)
Contributor guide
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 identifying the existing task-execution entry points and test setup for each protocol type. Exercise resuming, local and HPC runs, and moving the task database and warehouse to another directory; record failures and confirm that each workflow completes successfully.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- testing
- Issue type
- Feature
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Active
- Clarity
- Mostly clear
- Newbie friendliness
- 45/100