aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Filter active processes for the default user when running `verdi process repair`
- Add scheduler commands and mpirun extra params at the `Code` level
- Usability: Easy export-import cycle for codes and computers
- Comment.set_user method is broken and unused
- ❓ Is there any reason why we need to load a profile to instantiate a class?
- Add `--clean-loose-per-pack` to `verdi storage maintain`
- Slurm scheduler handles multiple culsters
- Modernize SQLAlchemy usage to 2.0+ patterns
- 🐛 Aiida engine Process.on_entered breaks Plumpy ProcessListener API
- Some `Node.fields.*` raise an error when trying to use them in the filter of a query.
- Docs
- Python not yet supported