content: [build-system]
  # Minimum requirements for the build system to execute
  requires = [
      "Cython>=0.28,<3.1",
      "packaging",
      # numpy requirement for wheel builds for distribution on PyPI - building
      # against 2.x yields wheels that are also compatible with numpy 1.x at
      # runtime.
      # Note that building against numpy 1.x works fine too - users and
      # redistributors can do this by installing the numpy version they like and
      # disabling build isolation.
      "numpy>=2.0.0",
      # Set to minimum version of setuptools that allows pyproject.toml
      "setuptools >= 40.9.0",
      "wheel",
  ]
  build-backend = "setuptools.build_meta"
  
  [project]
  name = "MDAnalysis"
  dynamic = ['version', 'readme']
  license = {file = "LICENSE"}
  description = "An object-oriented toolkit to analyze molecular dynamics trajectories."
  authors = [
      {name = 'MDAnalysis Development Team', email = 'mdanalysis@numfocus.org'}
  ]
  maintainers = [
      {name = 'MDAnalysis Core Developers', email = 'mdanalysis@numfocus.org'}
  ]
  requires-python = ">=3.10"
  dependencies = [
      'numpy>=1.23.2',
      'GridDataFormats>=0.4.0',
      'mmtf-python>=1.0.0',
      'joblib>=0.12',
      'scipy>=1.5.0',
      'matplotlib>=1.5.1',
      'tqdm>=4.43.0',
      'threadpoolctl',
      'packaging',
      'filelock',
      'mda-xdrlib',
  ]
  keywords = [
      "python", "science", "chemistry", "biophysics", "molecular-dynamics",
      "computational-chemistry", "molecular-simulation", "analysis",
      "trajectory-analysis",
  ]
  classifiers = [
      'Development Status :: 6 - Mature',
      'Environment :: Console',
      'Intended Audience :: Science/Research',
      'License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)',
      'Operating System :: POSIX',
      'Operating System :: MacOS :: MacOS X',
      'Operating System :: Microsoft :: Windows',
      'Programming Language :: Python',
      'Programming Language :: Python :: 3.10',
      'Programming Language :: Python :: 3.11',
      'Programming Language :: Python :: 3.12',
      'Programming Language :: Python :: 3.13',
      'Programming Language :: C',
      'Topic :: Scientific/Engineering',
      'Topic :: Scientific/Engineering :: Bio-Informatics',
      'Topic :: Scientific/Engineering :: Chemistry',
      'Topic :: Software Development :: Libraries :: Python Modules',
  ]
  
  [project.optional-dependencies]
  extra_formats = [
      "netCDF4>=1.0",
      "h5py>=2.10",
      "chemfiles>=0.10",
      "parmed",
      "pyedr>=0.7.0",
      "pytng>=0.2.3",
      "gsd>3.0.0",
      "rdkit>=2022.09.1",
      "imdclient>=0.2.2",
  ]
  analysis = [
      "biopython>=1.80",
      "seaborn",
      "scikit-learn",
      "tidynamics>=1.0.0",
      'networkx>=2.0',
      'waterdynamics',
      'pathsimanalysis',
      'mdahole2',
  ]
  doc = [
      "sphinx",
      "sphinx-sitemap",
      "mdanalysis-sphinx-theme>=1.3.0",
      "sphinxcontrib-bibtex",
      "pybtex",
      "pybtex-docutils",
  ]
  parallel = [
      "dask",
  ]
  
  [project.urls]
  Homepage = "https://www.mdanalysis.org"
  Download = "https://github.com/MDAnalysis/mdanalysis/releases"
  Documentation = "https://docs.mdanalysis.org/"
  "User Guide" = "https://userguide.mdanalysis.org/"
  "Issue Tracker" = "https://github.com/mdanalysis/mdanalysis/issues"
  "Github Discussions" = "https://github.com/MDAnalysis/mdanalysis/discussions"
  Discord = "https://discord.com/channels/807348386012987462/"
  Blog = "https://www.mdanalysis.org/blog/"
  Source = 'https://github.com/mdanalysis/mdanalysis'
  
  [tool.setuptools]
  # as a zipped egg the *.so files are not found (at
  # least in Ubuntu/Linux)
  zip-safe = false
  
  [tool.setuptools.packages]
  find = {}
  
  [tool.setuptools.package-data]
  MDAnalysis = [
      'analysis/data/*.npy',
  ]
  
  [tool.black]
  line-length = 79
  target-version = ['py310', 'py311', 'py312', 'py313']
  extend-exclude = '''
  (
  __pycache__ 
  | MDAnalysis/coordinates/DCD\.py
  | MDAnalysis/coordinates/TRJ\.py
  | MDAnalysis/coordinates/__init__\.py
  | MDAnalysis/analysis/hydrogenbonds/hbond_analysis\.py
  | MDAnalysis/coordinates/DLPoly\.py
  | MDAnalysis/coordinates/TRZ\.py
  | MDAnalysis/coordinates/__init__\.py
  | MDAnalysis/coordinates/base\.py
  | MDAnalysis/topology/tpr/utils\.py
  | MDAnalysis/coordinates/MMCIF\.py
  | MDAnalysis/topology/MMCIFParser\.py
  | MDAnalysis/topology/PDBParser\.py
  | MDAnalysis/topology/__init__\.py
  | .*\.pyx
  )
  '''
  required-version = '24'
  