content: [project]
  name = "metatomic-torch"
  dynamic = ["version", "authors", "dependencies"]
  requires-python = ">=3.10"
  
  readme = "README.rst"
  license = "BSD-3-Clause"
  description = "Interface between atomistic machine learning models and simulation tools"
  
  keywords = ["machine learning", "molecular modeling", "torch"]
  classifiers = [
      "Development Status :: 4 - Beta",
      "Intended Audience :: Science/Research",
      "Operating System :: POSIX",
      "Operating System :: MacOS :: MacOS X",
      "Operating System :: Microsoft :: Windows",
      "Programming Language :: Python",
      "Programming Language :: Python :: 3",
      "Topic :: Scientific/Engineering",
      "Topic :: Scientific/Engineering :: Bio-Informatics",
      "Topic :: Scientific/Engineering :: Chemistry",
      "Topic :: Scientific/Engineering :: Physics",
      "Topic :: Software Development :: Libraries",
      "Topic :: Software Development :: Libraries :: Python Modules",
  ]
  
  [project.urls]
  homepage = "https://docs.metatensor.org/metatomic/"
  documentation = "https://docs.metatensor.org/metatomic/"
  repository = "https://github.com/metatensor/metatomic"
  changelog = "https://docs.metatensor.org/metatomic/latest/torch/CHANGELOG.html"
  
  ### ======================================================================== ###
  [build-system]
  requires = [
      "setuptools >=77",
      "packaging >=23",
      "cmake",
      "metatensor-torch >=0.8.0,<0.9.0",
      # we also add torch to this list in the build backend below
  ]
  
  # we use a custom build backend to add torch only when building the wheel
  # and not the sdist; as well as to control which version of torch we built against
  build-backend = "backend"
  backend-path = ["build-backend"]
  
  [tool.setuptools]
  zip-safe = false
  
  [tool.setuptools.packages.find]
  include = ["metatomic*"]
  namespaces = true
  
  ### ======================================================================== ###
  [tool.pytest.ini_options]
  python_files = ["*.py"]
  testpaths = ["tests"]
  