aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Docs: how to stop search engines indexing outdated version of aiida
- CLI: Add color flag to `verdi process list`
- ORM: Use pydantic to specify a schema for each ORM entity
- `Node`: Validate nested attribute and extra keys
- Caching: ph process failed if previous pw.x process finished_ok and cached but remote folder cleaned.
- timeouterror when submitting many processes
- `verdi calcjob cleanworkdir`: Add option for work chain
- CTRL+C in new asyncio daemon while running a process does not kill it
- AiiDA scheduler plugin thinks job is finished while it is still running
- More options for using AiiDA with locked-down supercomputers
- Docs
- Python not yet supported