numpy>=1.17
scipy>=1.6

[all]
dftd3>=0.6.0
pyscf>=1.7.3
torch>=1.8
matplotlib>=1.5.0
nglview>=2.6.5
plotly>=4.5

[dev]
coverage>=4.4
furo>=2022.02.14.1
mypy>=0.931
notebook
pytest>=5.4
pytest-cov>=2.6.1
ruff>=0.0.276
sphinx>=4
sphinxcontrib-bibtex>=2

[dispersion]
dftd3>=0.6.0

[fods]
pyscf>=1.7.3

[libxc]
pyscf>=1.7.3

[torch]
torch>=1.8

[viewer]
matplotlib>=1.5.0
nglview>=2.6.5
plotly>=4.5
