content: [build-system]
  requires = [
      "Cython>=0.29.32",
      "numpy>=2.0.0",
      "setuptools>=45",
      "setuptools_scm",
      "wheel",
  ]
  build-backend = "setuptools.build_meta"
  
  [project]
  name = "mattersim"
  dynamic = ["version"]
  description = "MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures."
  authors = [
      { name = "Han Yang", email = "hanyang@microsoft.com" },
      { name = "Hongxia Hao", email = "hongxiahao@microsoft.com" },
      { name = "Jielan Li", email = "jielanli@microsoft.com" },
      { name = "Ziheng Lu", email = "zihenglu@microsoft.com" },
  ]
  readme = "README.md"
  requires-python = ">=3.10"
  classifiers = [
      "License :: OSI Approved :: MIT License",
      "Operating System :: OS Independent",
      "Programming Language :: Python :: 3",
  ]
  dependencies = [
      "ase>=3.23.0",
      "azure-identity",
      "azure-storage-blob",
      "scikit-learn",
      "deprecated",
      "e3nn>=0.5.0",
      "atomate2",
      "emmet-core>=0.84; python_version >= '3.10'",
      "emmet-core<0.84; python_version < '3.10'",
      "loguru",
      "mp-api",
      "numpy>=2.0.0; python_version >= '3.10'",
      "numpy<2.0.0; python_version < '3.10'",
      "opt_einsum_fx",
      "pydantic>=2.9.2",
      "pymatgen",
      "seekpath",
      "phonopy",
      "torch-ema>=0.3",
      "torch>=2.2.0",
      "torch_geometric>=2.5.3",
      "torch_runstats>=0.2.0",
      "torchaudio>=2.2.0",
      "torchmetrics>=0.10.0",
      "torchvision>=0.17.0",
      "wandb",
  ]
  
  [project.optional-dependencies]
  dev = [
      "ipykernel",
      "ipython",
      "pre-commit",
      "pytest",
      "pytest-cov",
      "pytest-testmon",
  ]
  
  docs = [
      "nbconvert",
      "nbsphinx",
      "recommonmark",
      "sphinx",
      "sphinx-autodoc-typehints",
      "sphinx-copybutton",
      "sphinx_book_theme",
  ]
  
  
  [project.urls]
  "Homepage" = "https://github.com/microsoft/mattersim"
  "Bug Tracker" = "https://github.com/microsoft/mattersim/issues"
  
  [tool.setuptools]
  package-dir = { "" = "src" }
  
  [tool.setuptools.packages.find]
  where = ["src"]
  include = ["mattersim", "mattersim.*"]
  
  [tool.setuptools_scm]
  version_scheme = "guess-next-dev"
  local_scheme = "dirty-tag"
  
  [tool.cibuildwheel]
  # Limit the build to Python 3.10, 3.11, 3.12 and 3.13
  build = "cp3{10,11,12,13}-*"
  # Use manylinux2014 for Linux wheels
  manylinux-x86_64-image = "manylinux2014"
  # Skip PyPy and all Windows/macOS builds
  skip = "pp*,*win*,*macos*"
  