pyproject.toml

[build-system]
requires = ["setuptools", "numpy", "meson", "ninja"]
build-backend = "setuptools.build_meta"

[project]
name = "qmllib"
dynamic = ["version"]
authors = []
requires-python = ">=3.9"
readme="README.rst"
description="Python/Fortran toolkit for representation of molecules and solids for machine learning of properties of molecules and solids."
classifiers = [
    "Intended Audience :: Developers",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: MIT License",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python",
    "Topic :: Scientific/Engineering :: Artificial Intelligence",
    "Topic :: Scientific/Engineering :: Chemistry",
]
keywords = ["qml", "quantum chemistry", "machine learning"]
dependencies=["numpy", "scipy"]

[project.urls]
Homepage = "https://qmlcode.org"

[options.packages.find]
where="src"

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

[tool.setuptools.dynamic]
version = {attr = "qmllib.version.__version__"}

[tool.setuptools.package-data]
"*" = ['*.so']

# [tool.black]
# line-length = 120