pyproject.toml

[build-system]
requires=["flit_core >=3.2,<4"]
build-backend="flit_core.buildapi"

[project]
name="mlip_arena"
version="0.0.1"
authors=[
    {name="Yuan Chiang", email="cyrusyc@lbl.gov"},
]
description=""
readme="README.md"
requires-python=">=3.8"
keywords=[
    "pytorch",
    "machine-learning-interatomic-potentials",
    "huggingface",
    "deep-learning",
    "graph-neural-networks",
]
classifiers=[
    "Development Status :: 1 - Planning",
    "Programming Language :: Python",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3 :: Only",
]
dependencies=[
    "torch>=2.0.0",
    "ase",
    "torch_dftd>=0.4.0",
    "huggingface_hub",
    "torch-geometric>=2.5.2",
    "safetensors"
]

[project.urls]
Homepage = "https://github.com/atomind-ai/mlip-arena"
Issues = "https://github.com/atomind-ai/mlip-arena/issues"

[tool.ruff]
# Exclude a variety of commonly ignored directories.
exclude = [
    ".bzr",
    ".direnv",
    ".eggs",
    ".git",
    ".git-rewrite",
    ".hg",
    ".ipynb_checkpoints",
    ".mypy_cache",
    ".nox",
    ".pants.d",
    ".pyenv",
    ".pytest_cache",
    ".pytype",
    ".ruff_cache",
    ".svn",
    ".tox",
    ".venv",
    ".vscode",
    "__pypackages__",
    "_build",
    "buck-out",
    "build",
    "dist",
    "node_modules",
    "site-packages",
    "venv",
]

# Same as Black.
line-length = 88
indent-width = 4

[tool.ruff.lint]
select = ["ALL"]
ignore = []
fixable = ["ALL"]
pydocstyle.convention = "google"