autograd
dask
distributed
h5py==3.2.1
jinja2
matplotlib
numpy>=1.18.1
natsort
pytest
pyyaml
rmsd
scipy>=1.4.1
sympy>=1.5.1
scikit-learn>=0.24.2

[ase]
ase>=3.21.0

[pyscf]
pyscf>=1.7.6

[qcengine]
qcengine>=0.17.0

[sphinx]
sphinx
sphinx-rtd-theme
