STCRpy/pyproject.toml at main · jolakopec/STCRpy · GitHub

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[build-system]
requires = ["setuptools"]
build-backend = "setuptools.build_meta"

[project]
name = "stcrpy"
version = "1.0.5"
description = "Set of methods to parse, annotate, and calculate features of TCR structures"
readme = "README.md"
license-files = [
    "LICENCE",
    "stcrpy/tcr_geometry/TCRCoM_LICENCE",
]
maintainers = [
  {name = "Nele Quast", email = "quast@stats.ox.ac.uk"}
]
requires-python = ">=3.10"
dependencies = [
  "biopython",
  "numpy==1.26.4",      # required by DockQ
  "lxml",
  "openbabel-wheel==3.1.1.21",
  "rdkit",
  "anarci-mhc",
  "pandas",
  "matplotlib",
  "scipy",
  "requests",
  "scikit-learn",
  "DockQ",
]

[project.optional-dependencies]
ml_datasets = [
    "einops",
    "torch",
    "torch_geometric",
]

[tool.setuptools]
include-package-data = true

[tool.setuptools.packages.find]
where = ["."]
exclude = ["test", "test.*"]

[tool.setuptools.package-data]
stcrpy = ["tcr_geometry/reference_data/*", ]