numpy>=2.0
molcrafts-molrs<0.13,>=0.12.0
molcrafts-mollog>=1.0.0
molcrafts-molcfg>=1.2.0

[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
ruff==0.16.1
ty==0.0.65
tox>=4.23

[doc]
zensical>=0.0.53
molcrafts-zensical-theme>=0.2.9
mkdocstrings[python]>=0.24.0

[rdkit]
rdkit
