ase
numpy
scipy

[ace]
juliacall
juliapkg

[docs]
Sphinx
pydata-sphinx-theme
sphinxcontrib-bibtex>2.6
nbsphinx
ipython
ipykernel
pypandoc
sphinx_design
sphinx-copybutton
nglview
ase_uhal[ace,mace]

[mace]
mace-torch
torch
e3nn

[test]
pytest>=6.1.2
pytest_allclose
ase_uhal[ace,mace]
