aiida-core<2.0.0,>=1.1.0
aiida-gaussian-datatypes
ase
ruamel.yaml>=0.16.5
cp2k-output-tools

[docs]
sphinx
sphinx-rtd-theme
sphinxcontrib-contentui
sphinxcontrib-details-directive

[pre-commit]
pre-commit~=2.2
yapf==0.28.0
pylint~=2.5.0

[test]
pgtest~=1.3
pytest~=6.0
pytest-cov~=2.11.1
coverage
