aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- WorkChains get excepted because of daemons get overwhelmed
- let remote compute resource "push back" output files
- Add utility that can easily relaunch a process from a `ProcessNode` with minimal required setup
- 🔀 REFACTOR: workchain subprocess queing
- `Repository`: Cache the calculation of the hash
- Restrict or officially support process inputs storing data in process node attributes
- Add functionality to automatically mark a `Process` class as an invalid cache source if it contains a `non_db` port
- Determine cause for importance of order in state update in `Process.on_entered`
- Clever caching policy involving RemoteData
- Deprecate the `aiida-prerequisites` and replace with the AiiDA only image similar as aiidlab-docker-stack
- Docs
- Python not yet supported