alphafast/pyproject.toml at main · RomeroLab/alphafast · GitHub

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[build-system]
requires = [
    "scikit_build_core",
    "pybind11",
    "cmake>=3.28,<4",
    "ninja",
    "numpy",
]
build-backend = "scikit_build_core.build"

[project]
name = "alphafast"
version = "1.0.0"
requires-python = "==3.12.*"
readme = "README.md"
license = {file = "LICENSE"}
dependencies = [
    "absl-py>=2.3.1",
    "dm-haiku==0.0.16",
    "jax==0.8.1",
    "jax[cuda12]==0.8.1",
    "numpy",
    "rdkit==2024.3.5",
    "setuptools==78.1.0",
    "tokamax==0.0.8",
    "tqdm",
    "zstandard",
]

[dependency-groups]
dev = [
    "pytest>=6.0",
]

[tool.uv]
package = true
environments = [
    "sys_platform == 'linux' and platform_machine == 'x86_64'",
    "sys_platform == 'linux' and platform_machine == 'aarch64'",
]

[tool.scikit-build]
wheel.packages = ["src/alphafold3"]
wheel.exclude = [
    "**.pyx",
    "**/CMakeLists.txt",
    "**.cc",
    "**.h"
]
sdist.include = [
    "LICENSE",
    "OUTPUT_TERMS_OF_USE.md",
    "WEIGHTS_PROHIBITED_USE_POLICY.md",
    "WEIGHTS_TERMS_OF_USE.md",
]

[tool.cibuildwheel]
build = "cp3*-manylinux_x86_64"
manylinux-x86_64-image = "manylinux_2_28"

[project.scripts]
build_data = "alphafold3.build_data:build_data"