rdkit/pyproject.toml at master · coleygroup/rdkit · GitHub

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[build-system]
requires = [
  "scikit-build-core>=0.10",
  "cmake>=3.18",
  "numpy>=1.22",
  "ninja; platform_system != 'Windows'",
]
build-backend = "scikit_build_core.build"

[project]
name = "rdkit-typer"
version = "2026.3.1.post0"
description = "RDKit fork with AtomTyper extensions"
readme = "README.md"
requires-python = ">=3.9"
license = { file = "license.txt" }
authors = [{ name = "RDKit contributors" }]
classifiers = [
  "Development Status :: 4 - Beta",
  "Intended Audience :: Science/Research",
  "License :: OSI Approved :: BSD License",
  "Operating System :: Microsoft :: Windows",
  "Operating System :: MacOS :: MacOS X",
  "Operating System :: POSIX :: Linux",
  "Programming Language :: Python :: 3",
  "Programming Language :: Python :: 3 :: Only",
  "Programming Language :: Python :: 3.9",
  "Programming Language :: Python :: 3.10",
  "Programming Language :: Python :: 3.11",
  "Programming Language :: Python :: 3.12",
  "Topic :: Scientific/Engineering :: Chemistry",
]

[project.urls]
Homepage = "https://www.rdkit.org"
Repository = "https://github.com/rdkit/rdkit"

[tool.scikit-build]
cmake.version = ">=3.18"
cmake.build-type = "Release"
build.verbose = true
wheel.packages = ["rdkit"]

[tool.scikit-build.cmake.define]
RDK_BUILD_PYTHON_WRAPPERS = "ON"
RDK_BUILD_SWIG_WRAPPERS = "OFF"
RDK_BUILD_CPP_TESTS = "OFF"
RDK_BUILD_CONTRIB = "OFF"
RDK_BUILD_PGSQL = "OFF"
RDK_BUILD_FUZZ_TARGETS = "OFF"
RDK_BUILD_LONG_RUNNING_TESTS = "OFF"
RDK_INSTALL_INTREE = "OFF"
RDK_INSTALL_DEV_COMPONENT = "OFF"
RDK_INSTALL_STATIC_LIBS = "OFF"
RDK_INSTALL_DLLS_MSVC = "ON"
RDK_BUILD_ATOMTYPER_SMOKE = "OFF"
RDK_USE_BOOST_IOSTREAMS = "OFF"
RDK_USE_BOOST_SERIALIZATION = "OFF"