content: [build-system]
  requires = ["setuptools>=61"]
  build-backend = "setuptools.build_meta"
  
  [project]
  name = "chemutils"
  authors = [
      {name = "Paul Fuchs", email = "paul.fuchs@tum.de"},
  ]
  description = "Models and Datasets of the MFM Group"
  readme = "README.md"
  license = {"text" = "Apache-2.0"}
  dynamic = ["version"]
  classifiers = [
      "Programming Language :: Python :: 3",
      "Programming Language :: Python :: 3.10",
      "Programming Language :: Python :: 3.11",
      "License :: OSI Approved :: Apache Software License",
      "Operating System :: MacOS",
      "Operating System :: POSIX :: Linux",
      "Topic :: Scientific/Engineering",
      "Intended Audience :: Science/Research",
      "Intended Audience :: Developers"
  ]
  requires-python = ">=3.10"
  dependencies = [
      'jax <= 0.4.30',
      'jaxlib <= 0.4.30',
      'scipy < 1.13', # Removed scipy.linal.tril, etc.
      'jax-md',
      'jax-sgmc',
      'optax',
      'dm-haiku',
      'sympy',
      'tree_math',
      'cloudpickle',
      'chex',
      'blackjax==0.3.0',
      'jaxopt',
      'dm-tree',
      'networkx',
      'chemtrain',
      'h5py'
  ]
  
  [project.optional-dependencies]
  "silver" = [
      "ase"
  ]
  "docs" = [
      'chemtrain[docs]',
      'sphinxcontrib-bibtex'
  ]
  
  
  [tool.setuptools.packages.find]
  namespaces = false
  include = ["chemutils*"]
  where = [""]
  
  [tool.setuptools.dynamic]
  version = {attr = "chemutils.version.__version__"}
  