pyproject.toml

[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"

[project]
name = "chemfunc"
dynamic = ["version"]
authors = [
    { name = "Kyle Swanson", email = "swansonk.14@gmail.com" },
]
maintainers = [
    { name = "Kyle Swanson", email = "swansonk.14@gmail.com" },
]
description = "Useful functions and scripts for working with small molecules."
readme = "README.md"
license = { file = "LICENSE" }
requires-python = ">=3.10"
dependencies = [
    "descriptastorus>=2.7.0.5",
    "matplotlib",
    "numpy",
    "pandas",
    "rdkit",
    "scikit-learn",
    "tqdm>=4.66.3",
    "typed-argument-parser>=1.10.1",
]
classifiers = [
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "License :: OSI Approved :: MIT License",
    "Operating System :: OS Independent",
    "Typing :: Typed",
]
keywords = [
    "computational chemistry",
]

[tool.hatch.version]
path = "src/chemfunc/__about__.py"

[project.scripts]
chemfunc = "chemfunc.main:main"

[project.urls]
Homepage = "https://github.com/swansonk14/chemfunc"
Issues = "https://github.com/swansonk14/chemfunc/issues"