Mapper/pyproject.toml at develop · mxk62/Mapper · GitHub

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

[project]
name = "mapper"
version = "0.1"
dependencies = [
    "numpy",
    "rdkit",
]
requires-python = ">=3.11"
authors = [
    {name = "Mikolaj Kowalik", email = "mxk@illinois.edu"},
]
maintainers = [
    {name = "Mikolaj Kowalik", email = "mxk@illinois.edu"},
]
description = "Approximate structure-matching algorithm by Lynch and Willett"
readme = "README.md"
license = {file = "LICENSE"}
keywords = ["chemoinformatics", "structure matching", "Lynch-Wilett"]
classifiers = [
    "Development Status :: 4 - Beta",
    "Programming Langugage :: Python :: 3",
    "Operating System :: OS Independent",
]

[project.optional-dependencies]
test = [
    "coverage",
    "pytest",
]
docs = [
    "sphinx",
    "sphinx-autoapi",
    "sphinx-rtd-theme",
]

[project.urls]
Homepage = "https://github.com/mxk62/Mapper"
Issues = "https://github.com/mxk62/Mapper/issues"

[tool.black]
target-version = ["py311"]

[tool.isort]
profile = "black"