aiida-core<2.0.0,>=1.2.1
aiida-quantumespresso<3.5.0,>=3.1.0
aiida-cp2k
ase>=3.0
aiida-gaussian>=1.0.0
pillow>=8.0.0
more-itertools

[pre-commit]
astroid>=2.4.0
pre-commit>=2.7.0
prospector==1.5.*
pylint==2.10.*

[testing]
pgtest~=1.3.1
wheel~=0.31
coverage
pytest<5.0.0,~=3.6
pytest-cov
