databpy>=0.5.1
MDAnalysis>=2.7.0
biotite>=1.5
mrcfile
starfile
PyYAML

[bpy]
bpy>=4.5.2

[build]
tomlkit

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

[docs]
quartodoc
quarto-cli~=1.7.0
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
