nomad-lab[infrastructure,parsing]>=1.3.17.dev161
pydantic

[dev]
ruff
pytest
nomad-schema-plugin-run>=1.0.1
scipy>=1.7.1
networkx>=2.6.3

[dev:python_full_version < "3.10"]
mdanalysis<2.8

[dev:python_full_version >= "3.10"]
mdanalysis<3.0.0,>=2.8.0
