ipython
jupyterlab
ipywidgets
clease>=0.11.5
pandas
numpy
matplotlib
click>=8.0.0
ase
nglview
packaging
attrs>=21.4.0

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

[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
