nomad-lab>=1.3.6.dev1
nomad-schema-plugin-simulation-workflow>=1.0.1
nomad-schema-plugin-run>=1.0.1
nomad-parser-plugins-simulation>=1.0.2
lxml>=5.2
mdanalysis==2.7.0
panedr>=0.2
scipy>=1.7.1
pydantic<2.0.0,>=1.10.8

[dev]
mypy==1.0.1
pylint==2.13.9
pylint_plugin_utils==0.7
pycodestyle==2.8.0
pytest<=8.0.2,>=5.3.0
pytest-timeout==1.4.2
pytest-cov==2.7.1
astroid>=2.5.1
typing-extensions==4.4.0
ruff==0.1.8
