aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Clever caching policy involving RemoteData
- Deprecate the `aiida-prerequisites` and replace with the AiiDA only image similar as aiidlab-docker-stack
- CalcJobs getting excepted after finishing gracefully on cluster
- An `--output-format` option for the verdi cli
- AiiDA (Node) is not thread-safe
- Catching workchain internal submit timeouts
- DbUser is already attached to session, on store() of a Node
- `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
- Python not yet supported