aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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Help out
- Issues
- Warnings / errors in nightly tests
- [pre-commit] Add check-jsonschema for gha yaml files
- CI: Use uv installer
- Archive: Automatically create nested output directories
- Dependencies: Update requirement to `psycopg~=3.0`
- `SqliteDosStorage`: Fix exception when importing archive
- CLI: Do not treat as URL if path exists in `PathOrUrl` parameter type
- Release `v2.6.0`
- Allow `calcfunction` to return a `list`?
- CLI: Add the command `verdi presto`
- Docs
- Python not yet supported