ase>3.22.1
cclib>=1.8
custodian>=2024.3.12
emmet-core>=0.80.0
maggma>=0.64.0
monty>=2024.2.26
numpy>=1.25.0
psutil
pydantic>=2.0.1
pydantic-settings>=2.2.0
pymatgen>=2024.4.12
typer>=0.12.1

[covalent]
covalent>=0.234.0rc0
covalent-cloud>=0.39.0

[dask]
dask[distributed]>=2023.12.1
dask-jobqueue>=0.8.2

[defects]
pymatgen-analysis-defects>=2023.8.22
shakenbreak>=3.2.0

[dev]
pytest>=7.4.0
pytest-cov>=3.0.0
ruff>=0.0.285

[docs]
blacken-docs>=1.16.0
mkdocs-material>=9.5.16
mkdocstrings[python]>=0.22.0
mkdocs-gen-files>=0.5.0
mkdocs-literate-nav>=0.6.0
pillow>=10.0.0
cairosvg>=2.7.1

[jobflow]
jobflow>=0.1.14
jobflow-remote>=0.1.0
fireworks>=2.0.3

[mlp]
matgl>=1.0.0
chgnet>=0.3.3
mace-torch>=0.3.3
torch-dftd>=0.4.0
torch<=2.2.1

[mp]
pymatgen-io-validation>=0.0.1

[newtonnet]
newtonnet>=1.1

[parsl]
parsl[monitoring]>=2023.10.23

[phonons]
phonopy>=2.20.0
seekpath>=2.1.0

[prefect]
prefect>=2.14.14
prefect-dask>=0.2.6
dask-jobqueue>=0.8.2

[redun]
redun>=0.16.2

[sella]
sella>=2.3.3

[tblite]

[tblite:platform_system == "Linux"]
tblite[ase]>=0.3.0
