content: [build-system]
  requires = ["setuptools>=64", "versioneer[toml]", "wheel"]
  build-backend = "setuptools.build_meta"
  
  [project]
  name = "MDANCE"
  dynamic = ["version"]
  authors = [
    { name="Lexin Chen", email="le.chen@ufl.edu" },
  ]
  description = "a flexible n-ary clustering package for all applications."
  readme = "README.md"
  requires-python = ">=3.8"
  classifiers = [
      "Programming Language :: Python :: 3",
      "License :: OSI Approved :: MIT License",
      "Operating System :: OS Independent",
  ]
  dependencies = [
    "numpy >= 1.20.0",
    "scikit-learn >= 0.24.0",
    "MDAnalysis >= 2.0.0",
    "shapeGMMTorch >= 2.0.0",
    "torch >= 2.2.2",
  ]
  
  [project.urls]
  Homepage = "https://github.com/mqcomplab/MDANCE"
  Documentation = "https://mdance.readthedocs.io/en/latest/"
  Repository = "https://github.com/mqcomplab/MDANCE"
  Issues = "https://github.com/mqcomplab/MDANCE/issues"
  
  [project.scripts]
  prime_sim = "mdance.cli.prime_sim:main"
  prime_rep = "mdance.cli.prime_rep:main"
  
  [tool.setuptools.package-data]
  "mdance.data" = ["*.csv", "*.npy", "*.pdb", "*.dcd"]
  
  [tool.pytest.ini_options]
  minversion = "6.0"
  addopts = "-ra --strict-markers"
  testpaths = ["tests"]
  
  [tool.setuptools.packages.find]
  where = ["src"]
  
  [tool.setuptools.dynamic]
  version = {attr = "mdance.__version__"}
  
  [project.optional-dependencies]
  dev = [
    "pytest >= 7.0",
  ]
  