aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- TrajectoryData does not preserve periodicity information
- Allow `calcfunction` to return a `list`?
- Docs: troubleshooting section for conda installed RMQ and PostgreSQL
- CLI `--verbosity` flag behaviour depends on position
- Extras lost if different processes try to update the extras of the same node
- Sudo permission not prompt but directly exit the `verdi profile delete` command
- ORM: Use pydantic to specify a schema for each ORM entity
- Positional argument does not work anymore using `run`
- 🐛 `verdi storage maintain`: `psutil.AccessDenied` when running `--full`
- 👌 Allow remote copying/symlinking between computers with same `hostname`
- Docs
- Python not yet supported