pymatgen>=2022.0.16
scipy
monty
matplotlib
BoltzTraP2
tqdm
tabulate
memory_profiler
spglib
click
sumo
h5py
pyFFTW
interpolation
numba

[all-electron]
pawpyseed==0.7.1

[dev]
pre-commit==3.7.1

[docs]
mkdocs==1.6.0
mkdocs-material==9.5.30
mkdocs-minify-plugin==0.8.0
mkdocs-macros-plugin==1.0.5
markdown-include==0.8.1
markdown-katex==202406.1035

[tests]
pytest==8.3.1
pytest-cov==5.0.0
