content: [build-system]
  requires = ["hatchling"]
  build-backend = "hatchling.build"
  
  [project]
  name = "bioemu_benchmarks"
  version = "0.0.1"
  authors = [
    { name="BioEmu authors" },
  ]
  description = "Accompanying set of benchmarks for BioEmu 1.0 paper."
  readme = "README.md"
  requires-python = ">=3.10"
  classifiers = [
      "Programming Language :: Python :: 3",
      "License :: OSI Approved :: MIT License",
      "Intended Audience :: Science/Research",
      "Topic :: Scientific/Engineering :: Bio-Informatics",
      "Topic :: System :: Benchmark"
  ]
  dependencies = [
    "mdtraj >= 1.9.9",
    "matplotlib >= 3.8.0",
    "pydantic >= 2.1.1",
    "numpy >= 1.26.4",
    "pandas >= 2.1.4",
    "scipy >= 1.11.4",
    "joblib >= 1.4.2",
    "biopython >= 1.5.9",
    "urllib3 < 3.0.0",
    "tqdm >= 4.66.1",
    "requests >= 2.32.3",
    "h5py >= 3.10.0",
    "scikit-learn >= 1.5.2" ,
    "fire >= 0.5.0",
    "seaborn >= 0.13.2"
  ]
  
  [project.urls] # URLs don't exist yet
  Homepage = "https://github.com/microsoft/bioemu-benchmarks"
  Issues = "https://github.com/microsoft/bioemu-benchmarks/issues"
  [tool.ruff]
  line-length = 100
  
  [project.scripts]
  bioemu-bench = "bioemu_benchmarks.scripts.bioemu_bench:cli"
  
  [tool.ruff.lint]
  ignore = [
    # W605: invalid escape sequence -- triggered by pseudo-LaTeX in comments
    "W605",
    # E402: Module level import not at top of file -- triggered by python path manipulations
    "E402",
    # E741:  Do not use variables named 'l', 'o', or 'i' -- disagree with PEP8
    "E741",
  ]
  