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pyproject.toml
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[tool.isort]
profile = "black"
[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"
[tool.hatch.metadata]
allow-direct-references = true
[project]
name = "MRPyCM"
version = "0.0.1a"
authors = [
{ name="Gabriel Gerez", email="[email protected]" },
]
description = "A Python package for the Polarizable Continuum model in a Multi-Resolution framework"
readme = "README.md"
requires-python = ">=3.11.4"
dependencies = [
"numpy==1.25.1",
"scipy==1.11.1",
"matplotlib==3.7.2",
"qcelemental==0.25.1",
"pytest==7.4.0",
"vampyr@git+https://github.com/MRChemSoft/vampyr.git@413283f6a21a02fb1d4e78e4d055303aec8a167b",
]
classifiers = [
"Programming Language :: Python :: 3",
"License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
"Operating System :: OS Independent",
]
[project.urls]
"Homepage" = "https://github.com/Gabrielgerez/MRPyCM"