ase>=3.24.0
custodian>=2024.10.15
emmet-core>=0.84.3rc6
maggma>=0.64.0
monty>=2024.5.15
numpy>=1.25.0
psutil
pydantic>=2.0.1
pydantic-settings>=2.2.0
pymatgen>=2024.10.22
ruamel.yaml>=0.17.40
typer>=0.12.1

[covalent]

[covalent:platform_system != "Windows"]
covalent>=0.234.1-rc.0
covalent-cloud>=0.39.0

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

[defects]
pymatgen-analysis-defects>=2024.10.22
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[fireworks]>=0.1.14
jobflow-remote>=0.1.0

[mlp]
matgl>=1.1.2
chgnet>=0.3.3
mace-torch>=0.3.3
torch-dftd>=0.4.0
sevenn>=0.10.1
orb-models>=0.4.1

[mp]
atomate2>=0.0.14

[newtonnet]
newtonnet>=1.1

[parsl]

[parsl:platform_system != "Windows"]
parsl[monitoring]>=2024.5.27

[phonons]
phonopy>=2.20.0
seekpath>=2.1.0

[prefect]
prefect[dask]>=2.19.0
dask-jobqueue>=0.8.2

[redun]
redun>=0.16.2

[sella]
sella>=2.3.5

[tblite]

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