pyproject.toml

[build-system]
requires = ["setuptools >= 61.0", "wheel", "cmake"]
build-backend = "setuptools.build_meta"


[project]
name = "pyscf-dispersion"
dynamic = ["version"]
description = "DFTD3 and DFTD4 interfaces"
readme = "README.md"
classifiers = [
  'Development Status :: 4 - Beta',
  'Intended Audience :: Science/Research',
  'Intended Audience :: Developers',
  'License :: OSI Approved :: Apache Software License',
  'Programming Language :: C',
  'Programming Language :: Python',
  'Programming Language :: Python :: 3.8',
  'Programming Language :: Python :: 3.9',
  'Programming Language :: Python :: 3.10',
  'Programming Language :: Python :: 3.11',
  'Programming Language :: Python :: 3.12',
  'Topic :: Software Development',
  'Topic :: Scientific/Engineering',
  'Operating System :: POSIX',
  'Operating System :: Unix',
  'Operating System :: MacOS',
]

maintainers = [{ name = "Qiming Sun", email = "osirpt.sun@gmail.com" }]

authors = [{ name = "Qiming Sun", email = "osirpt.sun@gmail.com" }]

license = { text = "Apache-2.0" }

dependencies = [
  'pyscf',
]

[project.urls]
Homepage = "http://www.pyscf.org"
Repository = "https://github.com/pyscf/dftd3-builder"
Documentation = "http://www.pyscf.org"