databpy>=0.6.0
mdanalysis>=2.10
biotite>=1.5
mrcfile
starfile
PyYAML
imdclient>=0.2.3
ipython>=9.7.0
pandas<3.0.0

[bpy]
bpy>=5.1.0

[build]
tomlkit

[dev]
pre-commit
pytest
pytest-cov
ruff
syrupy
scipy
fake-bpy-module
IPython
nodepad>=0.2.0

[docs]
quartodoc>=0.11.1
griffe<2.0.0
quarto-cli>=1.8.0
tomlkit
nodepad
jupyter
IPython
jupyter-cache
MDAnalysisTests>=2.7.0
MDAnalysisData

[jupyter]
jupyter
IPython

[test]
pytest
pytest-cov
syrupy
scipy
IPython
pytest-xdist
MDAnalysisTests>=2.7.0
MDAnalysisData
pooch>=1.8
rdkit
numpy<2.0
