numpy>=1.11.0
scipy>=0.18.0
ase>=3.22.0
xmltodict>=0.12.0

[docs]
sphinx
sphinx-rtd-theme
sphinx-panels
sphinx-copybutton
sphinx-inline-tabs
nbsphinx
pandoc

[mpi]
mpi4py
mpi4py-fft

[test]
pytest
pytest-cov
pytest-mpi
ase
