OpenFreeEnergy / OpenFreeEnergy/openfe_analysis
FEReader / trajectory cleanup flaky on CI
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 20
- Forks
- 2
- PR merge metrics
- No merged PRs in 30d
Description
Tests relying on __del__ to close FEReader / MDAnalysis trajectories pass locally but fail randomly on CI. Explicit u.trajectory.close() fixes the issue.
For now, we keep the explicit close() in tests, but we should verify __del__ reliably calls close().
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
Locate the FEReader implementation and the tests that rely on del to close MDAnalysis trajectories. Start by reproducing the CI failure and tracing the cleanup path; done means the tests show that del reliably calls close() without requiring explicit cleanup.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- data
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 45/100