numpy>=2.0
python-igraph>=1.0.0
lark>=1.3.1
pint>=0.24

[all]
molcrafts-molpy[dev,doc,hdf5,zarr]

[dev]
pytest>=6.0.0
pytest-cov>=3.0.0
pytest-mock>=3.10.0
pre-commit>=4.0.0
rdkit

[doc]
mkdocs>=1.4.0
mkdocs-material>=9.7.0
mkdocstrings[python]>=0.24.0
mkdocs-jupyter>=0.24.0
packmol
rdkit
matplotlib
scienceplots

[hdf5]
h5py>=3.0.0

[zarr]
zarr>=3.0
