pyproject.toml

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

[project]
name = "SULLEY"
authors = [
   {name = "Côme Cattin", email = "come.cattin@sorbonne-universite.fr"}
]
description = "Symmetry Understanding of Local frames for Learning Equivariant geometrY"
readme = "README.MD"
version = "1.0.0"
dependencies = [
   "rdkit",
   "networkx",
   "pytest",
   "openbabel-wheel",
]
license = {file = "LICENSE"}
keywords = ["Local Frame", "Geometry", "Equivariant", "Polarisation"]
classifiers = [

  "Development Status :: 3 - Alpha",

  "Intended Audience :: Education",
  "Topic :: Scientific/Engineering :: Chemistry",

  "Natural Language :: English",

  "Programming Language :: Python :: 3.9",
  "Programming Language :: Python :: 3.10",
  "Programming Language :: Python :: 3.11",
]

[project.urls]
Repository = "https://github.com/comecattin/SULLEY"
Issues = "https://github.com/comecattin/SULLEY/issues"

[project.scripts]
sulley = "sulley.sulley:cli"