content: [build-system]
  build-backend = "setuptools.build_meta"
  
  requires = [
    "setuptools>=77.0.3",
    "setuptools-scm>=8",
  ]
  
  [project]
  name = "openfe"
  description = ""
  readme = "README.md"
  license = "MIT"
  license-files = [ "LICENSE" ]
  authors = [ { name = "The OpenFE developers", email = "openfe@omsf.io" } ]
  requires-python = ">=3.11"
  
  classifiers = [
    "Development Status :: 1 - Planning",
    "Intended Audience :: Science/Research",
    "Operating System :: Microsoft :: Windows",
    "Operating System :: POSIX",
    "Programming Language :: Python :: 3 :: Only",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3.13",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Topic :: Scientific/Engineering :: Chemistry",
  ]
  dynamic = [ "version" ]
  
  urls = { Homepage = "https://github.com/OpenFreeEnergy/openfe" }
  scripts.openfe = "openfecli.cli:main"
  
  [tool.setuptools]
  zip-safe = false
  include-package-data = true
  
  [tool.setuptools.packages]
  find = { namespaces = false }
  
  [tool.setuptools.package-data]
  openfe = [ '"./openfe/tests/data/lomap_basic/toluene.mol2"' ]
  
  [tool.setuptools_scm]
  fallback_version = "0.0.0"
  
  [tool.coverage.run]
  omit = [
    "openfe/due.py",
    "*/tests/dev/*py",
    "*/tests/protocols/test_openmm_rfe_slow.py",
  ]
  
  [tool.coverage.report]
  exclude_lines = [
    'if __name__ == "__main__"',
    "pragma: no cover",
    "pragma: no-cover",
    "-no-cov",
    "raise NotImplementedError",
  ]
  
  [tool.mypy]
  files = "openfe"
  ignore_missing_imports = true
  warn_unused_ignores = true
  