numpy<2
pydantic>=2.0.0
scipy
tad-dftd3>=0.2.2
tad-dftd4>=0.1.0
tad-libcint>=0.0.1
tad-mctc>=0.1.5
tad-multicharge
tomli
tomli-w
torch<=2.2.2,>=1.11.0
typing-extensions

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

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