numpy
packaging>=19.0
periodictable
scipy>=1.2.0

[all]
cclib[bridges]

[bridges]
ase>=3.21
biopython
openbabel
pandas
pyscf
qc-iodata>=1.0.0a2

[dev]
cclib[bridges,docs,test]

[docs]
sphinx
sphinx_rtd_theme

[test]
pytest
coverage
pytest-cov
