aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Are we handling the builder correctly?
- Remove `stash`, `unstash` and `monitor` keys from the default inputs
- 🐭 `TrajectoryData`: fix missing space in `pbc` deprecation warning
- Add ZeroMQ-based message broker plugin
- 👌 `ProcessBuilder`: prune empty namespaces in `_repr_pretty`
- Fix test_shutdown_worker leaving stale callback that breaks later tests
- Revert lazy init of builder namespaces
- Fix flaky test_unload_profile by properly removing scoped session
- Fix naming inconsistencies across `Computer`, `Code`, and `CalcJob` APIs
- ✨ Add Code-level scheduler cmds & mpirun params
- Docs
- Python not yet supported