aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- 📦 Update/remove `kiwipy` depedency
- Composition over inheritance in backend
- Is `orm.utils.load_node_class` fallback on `Data` for non-existent but valid node types intended?
- test_calc_job.py::test_restart_after_daemon_reset failed with kiwipy.UnroutableError
- Improve robustness of SLURM scheduler parsing and state handling
- `verdi process list` for root processes
- Support 2FA with improved authentication script handling in `core.ssh_async` transport
- Filter active processes for the default user when running `verdi process repair`
- `verdi code test` fails with `filepath_executable` not found with if necessary `uenv` is loaded via `prepend_text`
- Usability: Easy export-import cycle for codes and computers
- Docs
- Python not yet supported