aiida-core<2.0.0,>=1.0.0
pymatgen<2022.0.0,>=2020.4
cclib<=1.7,>=1.6.1
ase

[dev]
bumpver==2022.1119

[pre-commit]
astroid>=2.2.5
pre-commit>=2.7.1
pylint>=2.5.1

[testing]
pgtest~=1.3.2
wheel~=0.31
coverage
pytest~=6.1
pytest-cov
coveralls
