allegro/pyproject.toml at main · mir-group/allegro · GitHub

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[build-system]
requires = ["setuptools>=45", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "nequip-allegro"
dynamic = ["version"]
description = "Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials."
readme = "README.md"
requires-python = ">=3.10"
license = {file = "LICENSE"}
authors = [
    {name = "The NequIP Developers", email = "allegro-nequip@g.harvard.edu"},
]
dependencies = [
    "nequip>=0.17.0",
]

[project.urls]
Repository = "https://github.com/mir-group/allegro"

[tool.setuptools]
packages = {find = {include = ["allegro", "allegro.*"]}}

[tool.setuptools.dynamic]
version = {attr = "allegro._version.__version__"}

[tool.ruff]
line-length = 88
exclude = [
    ".eggs",
    "*.egg",
    "build",
    "dist",
    "docs",
    ".git",
    "__pycache__",
    "examples",
    "tmp"
]

[tool.ruff.lint]
select = ["E", "F", "W", "C90"]
ignore = ["E226", "E501", "E741", "E743", "C901", "E203"]

[tool.ruff.format]
quote-style = "double"
indent-style = "space"

[project.entry-points."nequip.extension"]
init_always = "allegro"