h5py
numpy
pydantic>=2.0.0
scipy
tad-dftd3==0.6.0
tad-dftd4==0.8.0
tad-mctc==0.7.0
tad-multicharge==0.5.0
tomli
tomli-w
torch<3,>=1.11.0
typing-extensions

[dev]
black
covdefaults
mypy
pre-commit
pylint
pyscf
pytest
pytest-cov
pytest-random-order
pytest-xdist
pyyaml
tox

[libcint]
tad-libcint>=0.1.2

[pyscf]
pyscf

[tox]
covdefaults
pytest
pytest-cov
pytest-random-order
pytest-xdist
pyyaml
