databpy>=0.7.0
mdanalysis>=2.10
biotite>=1.7.1
mrcfile
starfile
PyYAML
imdclient>=0.2.3
pandas<3.0.0

[bpy]
bpy>=5.1.0

[dev]
numpy<2.4
mdanalysisdata>=0.9.0
mdanalysistests>=2.7.0
fake-bpy-module
nodepad>=0.3.0
pooch>=1.8
pre-commit
pytest
pytest-cov
pytest-xdist
rdkit
ruff
syrupy

[docs]
griffe<2.0
ipython>=9.11.0
jupyter>=1.1.1
jupyter-cache>=1.0.1
quartodoc>=0.11.1
mdanalysisdata>=0.9.0
mdanalysistests>=2.7.0
quarto-cli>=1.8.0
setuptools<81
tomlkit>=0.14.0

[jupyter]
jupyter
ipython>=9.7.0
