aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Rolling updates to project-wide LLM tooling
- 🧪 Isolate all-entries process control tests
- 🧪 Stabilize calcjob monitor tests
- Enable macOS for presto CI
- Bump click upper bound to <8.4
- Utilize `strict=True` parameter in zip calls
- ✨ `engine.submit`: Add `timeout` parameter
- ✨ Add --clean-workdir to verdi group delete
- `verdi ... create` for all
- Derive `Node.ConstructorModel` (and lift to `Entity`?)
- Docs
- Python not yet supported