Comments (1)
I'm not sure we need to address this in run_brer
. Some preliminary updates are already in place for more recent gmxapi releases, and a more significant API update is in the works. I'm tentatively closing this issue.
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Related Issues (20)
- Checkpoint transfer from convergence to production may not be sufficiently robust HOT 2
- Needs updates for gmxapi 0.1+
- Need more flexibility in resource assignment. HOT 1
- Redundant testing data. HOT 3
- Towards ensemble workflow management HOT 3
- Interrupted simulations cause premature phase advancement HOT 5
- state.json overwritten with new trial start HOT 5
- Establish versioning and release policies HOT 4
- HPC environment optimizations can interact badly with checkpoint verification. HOT 1
- Become PEP 517/518 compliant HOT 2
- Update Singularity image HOT 2
- Update coverage
- ValueError doesn't seem to fit the surrounding logic. HOT 1
- Automate documentation builds
- Test both release and development plugin code. HOT 1
- Merge test_production_bootstrap into test_run_config
- Reconcile index.rst with README.md HOT 2
- GitHub Actions broke
- Incorporate `brer_plugin` into `run_brer`. HOT 2
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