ipython
jupyterlab
ipywidgets
clease>=0.11.2
pandas
numpy
matplotlib
click>=8.0.0
ase
nglview

[all]
flake8
pytest>=4
tox
pre-commit
pyclean>=2.0.0
pytest-mock
pylint
sphinx
twine
build
sphinx_rtd_theme
black[jupyter]

[dev]
pre-commit
black[jupyter]
flake8
pylint
tox

[doc]
sphinx
sphinx_rtd_theme

[publish]
pyclean>=2.0.0
twine
build

[test]
pytest>=4
pytest-mock
