numpy>=2.0
lark>=1.3.1
molcrafts-molrs==0.9.3
molcrafts-mollog>=1.0.0
molcrafts-molcfg>=1.2.0
zarr>=3.0

[all]
molcrafts-molpy[dev,doc]

[dev]
pytest>=6.0.0
pytest-cov>=3.0.0
pytest-mock>=3.10.0
pytest-benchmark>=5.0
pytest-xdist>=3.0
filelock>=3.0
pre-commit>=4.0.0
ruff==0.15.13
ty==0.0.37

[doc]
zensical>=0.0.45
molcrafts-zensical-theme>=0.1.1
mkdocstrings[python]>=0.24.0
nbconvert>=7.0
ipykernel
packmol
rdkit
matplotlib
scienceplots

[rdkit]
rdkit
