ase
azure-core
azure-identity
dftd3
e3nn
huggingface_hub
numpy
opt_einsum_fx
pyscf<2.14,>=2.8
qcelemental
torch

[dev]
pre-commit
mypy
pytest
pytest-cov
pytest-randomly

[doc]
ipywidgets
myst-nb
sphinx
sphinx-book-theme
sphinx-design
sphinxcontrib-bibtex
sphinxcontrib-moderncmakedomain
sphinx-fortran
