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pyproject.toml
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pyproject.toml
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[build-system]
requires = [ "setuptools" ]
build-backend = "setuptools.build_meta"
[project]
name = "unidock_tools"
version = "0.0.1"
#dynamic = [ "version" ]
keywords = [ "Docking" ]
authors = [
{ name = "Yannan Yuan", email = "[email protected]" },
{ name = "Hang Zheng", email = "[email protected]" }
]
description = "Several docking-related applications based on Uni-Dock."
readme = "README.md"
requires-python = ">=3.8"
dependencies = [
"rdkit",
"MDAnalysis",
"networkx",
"numpy",
"pandas",
"pathos",
]
license = { file = "LICENSE" }
classifiers = [
"Programming Language :: Python :: 3",
"Environment :: GPU :: NVIDIA CUDA",
"License :: OSI Approved :: Apache Software License",
]
[tool.setuptools.package-data]
"*" = ["*.dat"]
[project.urls]
Homepage = "https://github.com/dptech-corp/Uni-Dock"
Repository = "https://github.com/dptech-corp/Uni-Dock.git"
[project.scripts]
unidocktools = "unidock_tools.main:main_cli"
#[project.entry-points."unidocktools"]
#unidocktools = "unidock_tools.main:main_cli"
[tool.pyright]
include = ["unidock_tools"]
exclude = ["**/node_modules",
"**/__pycache__",
"unidock_tools/data"
]
pythonVersion = "3.11"
pythonPlatform = "Linux"
reportMissingImports = false
reportMissingModuleSource = false
reportAttributeAccessIssue = false
reportIncompatibleMethodOverride = false
reportCallIssue = false