aiida-core~=1.1
sqlalchemy<1.4
pycifrw~=4.2
pymatgen
voluptuous

[pre-commit]
pre-commit~=2.2
pylint~=2.5.0

[testing]
pgtest>=1.3.1,~=1.3
pytest~=6.0
pytest-cov~=2.7
coverage
ase~=3.15
