pyproject.toml

# This file is part of ModelHamiltonian.
#
# ModelHamiltonian is free software: you can redistribute it and/or modify it under
# the terms of the GNU General Public License as published by the Free
# Software Foundation, either version 3 of the License, or (at your
# option) any later version.
#
# ModelHamiltonian is distributed in the hope that it will be useful, but WITHOUT
# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
# FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
# for more details.
#
# You should have received a copy of the GNU General Public License
# along with ModelHamiltonian. If not, see <http://www.gnu.org/licenses/>.

[build-system]
requires = ["setuptools>=65.0", "setuptools_scm[toml]>=7.1.0"]
build-backend = "setuptools.build_meta"

[project]
name = "moha"
authors = [
  { name="QC-Devs Community", email="qcdevs@gmail.com" },
]
description = "ModelHamiltonian generates 1- and 2-electron integrals corresponding to various model Hamiltonians."
readme = "README.md"
license = {text = "GPL-3.0-or-later"}
requires-python = ">=3.6"
dependencies = [
    "numpy>=1.16",
    "scipy>=1.4",
    "pytest",
]
dynamic =["version" ]

[project.urls]
Documentation = "https://modelh.qcdevs.org"
Issues = "https://github.com/theochem/ModelHamiltonian/issues"
Source = "https://github.com/theochem/ModelHamiltonian/"

[project.optional-dependencies]
gui = [
    "rdkit",
    "sv-ttk"
]

gpt = [
    "toml",
    "openai"
]

toml = [
    "toml"
]

[tool.setuptools]
packages = ["moha"]

[tool.pytest.ini_options]
minversion = "7.0"
testpaths = ["test"]