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==3.3.3

[docs]
mkdocs==1.5.2
mkdocs-material==9.1.21
mkdocs-minify-plugin==0.7.1
mkdocs-macros-plugin==1.0.4
markdown-include==0.8.1
markdown-katex==202112.1034

[tests]
pytest==7.4.0
pytest-cov==4.1.0
