aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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Help out
- Issues
- Perform basic tests of the scheduler interfaces
- Provide AiiDA configuration through environment variables
- Exposing exit_codes
- Ensure that children processes are properly killed when parent killed and clean up nodes
- QueryBuilder: with_ancestors does not work as some might expect (+ speed issues)
- Transports should provide option to put object from filelike
- Improve efficiency of `Process.update_outputs`
- Caching and remote folders
- Add a possibility to insert string before the mpirun command
- Improve docstring formatting in outline part of the sphinx directive
- Docs
- Python not yet supported