numpy>=1.23
scipy>=1.10

[dev]
build
pytest
pytest-cov
black
ruff
twine

[pyscf]
pyscf>=2.3
pyscf-dispersion
dftd4>=3.6
geometric>=1.0

[validation]
pyscf>=2.3
pyscf-dispersion
dftd4>=3.6
geometric>=1.0
pytest
pytest-cov
