aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- `InstalledCode` and `PortableCode` pydantic models emit serialization warnings
- Dependencies: Update requirement to `psycopg~=3.0`
- Release `v2.6.0`
- Allow `calcfunction` to return a `list`?
- Engine: Fix bug introduced when refactoring `upload_calculation`
- Migration: Drop the hashes for all nodes
- Docs: troubleshooting section for conda installed RMQ and PostgreSQL
- CLI `--verbosity` flag behaviour depends on position
- 📝 DOCS: Better/quicker highlighting of useful resources
- Add CLI command to dump inputs/outputs of `CalcJob`/`WorkChain`
- Docs
- Python not yet supported