pandas
pyyaml
pymatgen
ase>=3.22.1
colorama
natsort
mp-api

[dev]
asimtools[docs,phonons,tests]

[docs]
sphinx
sphinx-rtd-theme
myst-parser

[mlip]
matgl>=1.1.2
chgnet>=0.3.3
mace-torch>=0.3.3

[phonons]
phonopy>=2.20.0
seekpath>=2.1.0

[tests]
pytest>=7.4.0
pytest-cov>=3.0.0
