content: [build-system]
  requires = ["setuptools>=69"]
  
  [project]
  name = "oc-data"
  description = "Code for generating adsorbate-catalyst input configurations"
  readme = "README.md"
  license = {text = "MIT License"}
  version = "0.2.0"
  requires-python = ">=3.9, <3.13"
  dependencies = [
      "scipy",
      "numpy",
      "ase==3.22.1",
      "pymatgen",
      "tqdm"
  ]
  
  [tool.setuptools.packages]
  find = {namespaces = false}  # Disable implicit namespaces
  
  [tool.setuptools_scm]  # for version instrospection based on tags + commit
  
  [project.urls]
  repository = "http://github.com/Open-Catalyst-Project/Open-Catalyst-Dataset"
  
  # include package data
  [tool.setuptools.package-data]
  "ocdata.databases.pkls" = ["*pkl"]
  
  [project.optional-dependencies]
  dev = ["pre-commit", "pytest", "pytest-cov", "coverage", "black"]
  
  [tool.pytest.ini_options]
  minversion = "6.0"
  addopts  =  "-p no:warnings --import-mode importlib -x --quiet -rxXs --color yes"
  filterwarnings  = [
      'ignore::UserWarning',
      'ignore::FutureWarning',
      'ignore::RuntimeWarning'
      ]
  testpaths = ["tests"]
  
  [tool.coverage.run]
  source = ["ocdata"]
  
  [tool.isort]
  profile = 'black'
  skip_gitignore = true
  multi_line_output=3
  include_trailing_comma = true
  force_grid_wrap = 0
  use_parentheses = true
  line_length = 88
  