aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Postgres connection handling over restart of postgres server
- Should node attribute key validation be recursive
- `CalcJob`: remove "empty" defaults from various options
- QueryBuilder: allow `with_incoming/with_outgoing = None`
- Add `warning` method to Process class
- Currently all processes (calcfunctions) have to be toplevel (importable) in modules, otherwise uncachable
- Unprotected opening of transport in RemoteData._clean
- Graph Explorer - Possible improvements
- Extended input file list logic
- Enable `ProcessBuilderNamespace` functionality to provide interactive builders for `Dict` and its sub classes
- Docs
- Python not yet supported