irrepx/pyproject.toml at main · kYangLi/irrepx · GitHub

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[build-system]
requires = ["setuptools>=80", "wheel"]
build-backend = "setuptools.build_meta"


[project]
name = "irrepx"
version = "0.5.4"
authors = [
    {name = "DeepH team", email = "deeph-pack@outlook.com"},
]
description = "Minimal O(3) irreducible representations with optional JAX support. A lightweight, pure-Python replacement for the core of e3nn-jax."
readme = "README.md"
license = "GPL-3.0-or-later"
keywords = [
    "irreps", "irreducible representations", "O(3)", "SO(3)", "e3nn",
    "equivariance", "JAX", "symmetry", "spherical harmonics",
    "deep learning", "neural networks", "physics",
]
classifiers = [
    "Development Status :: 3 - Alpha",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3.13",
    "Programming Language :: Python :: 3.14",
    "Topic :: Scientific/Engineering :: Physics",
    "Topic :: Scientific/Engineering :: Artificial Intelligence",
]

requires-python = ">=3.12,<3.15"
dependencies = [
    "numpy>=1.24",
    "scipy>=1.10",
    "click>=8.0",
]

[project.optional-dependencies]
jax = ["jax>=0.9.2"]
jax-cpu = ["jax[cpu]>=0.9.2"]
jax-cuda12 = ["jax[cuda12]>=0.9.2"]
jax-cuda13 = ["jax[cuda13]>=0.9.2"]
jax-tpu = ["jax[tpu]>=0.9.2"]
dev = [
    "pytest>=7.0",
    "ruff>=0.1.0",
    "black>=23.0",
]
test = [
    "pytest>=7.0",
    "ruff>=0.1.0",
    "black>=23.0",
    "jax>=0.9.2",
    "e3nn-jax>=0.21.0",
    "e3nn>=0.5.0",
]

[project.scripts]
irrepx = "irrepx.cli:cli"

[project.urls]
Homepage = "https://github.com/kYangLi/irrepx"
Documentation = "https://github.com/kYangLi/irrepx#readme"
Repository = "https://github.com/kYangLi/irrepx.git"
Issues = "https://github.com/kYangLi/irrepx/issues"

[tool.setuptools]
include-package-data = true

[tool.setuptools.package-data]
irrepx = ["_constants/*.npz"]

[tool.setuptools.packages.find]
where = ["."]
include = ["irrepx*"]
exclude = [
    "docs*", "examples*", "tests*", ".*",
    "*.egg-info", "build*", "Makefile"
]

[tool.black]
line-length = 120
target-version = ["py313"]

[tool.ruff]
line-length = 120

[tool.pytest.ini_options]
testpaths = ["tests"]
python_files = ["test_*.py"]
addopts = ["-v", "--tb=short", "--strict-markers"]
markers = [
    "requires_jax: tests that need JAX installed",
    "requires_e3nn_jax: tests that need e3nn-jax installed for cross-validation",
    "slow: tests that are comprehensive but slower",
]