aiida-core~=2.0
deepdiff
ase<4.0,>=3.0
matplotlib
six<2.0,>=1.0
click
castepinput==0.1.4
seekpath~=1.9.3
castepxbin~=0.2.0

[docs]
sphinx
sphinxcontrib-contentui
sphinxcontrib-details-directive
furo
markupsafe<2.1

[pre-commit]
pre-commit==1.18.3
yapf==0.28.0
prospector==1.2.0
pylint-pytest

[pre-commit:python_version >= "3.0"]
pylint==2.4.4

[testing]
pytest
pgtest>=1.3.1,~=1.3
pytest-cov
aiida-pseudo
