[build-system]
requires = ["setuptools>=61.0", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "sf_cluster"
version = "0.1.0"
description = "Frustration-guided MSA subset builders for AlphaFold2 multi-conformer prediction (mosaic + gradient arms)."
readme = "README.md"
license = {file = "LICENSE"}
requires-python = ">=3.10"
authors = [
    {name = "Hanqun Cao", email = "hanquncao@gmail.com"},
]
keywords = ["alphafold", "msa", "frustration", "protein", "fold-switch", "subsampling"]
classifiers = [
    "License :: OSI Approved :: MIT License",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
]
dependencies = [
    "numpy>=1.23",
    "scipy>=1.10",
]

[project.optional-dependencies]
dev = ["pytest>=7.0"]

[project.scripts]
sf-cluster = "sf_cluster.cli:main"

[project.urls]
Homepage = "https://github.com/hanqun-cao/sf-cluster"
Issues = "https://github.com/hanqun-cao/sf-cluster/issues"

[tool.setuptools.packages.find]
where = ["src"]

[tool.setuptools.package-dir]
"" = "src"