aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- `CalcJobImporter`: consider replacing the `remote_data` input with a `Transport` instance
- Add validation of profile UUID to the `Profile` class and `verdi setup`
- Add test that checks database connections are properly closed for `PsqlDosStorage` when switching profiles
- Docs: Add clear section on where AiiDA stores data
- Make the `Node._hash_ignored_attributes` configurable
- CLI: Consider adding option to `verdi computer setup` to set the minimum job poll interval
- Instantiation of SinglefileData class does not fail if file is set to None
- Alternative implementation for complex number support
- support generic resources for SLURM scheduler
- REST API: Add profile black listing for profile switching enabled
- Docs
- Python not yet supported