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pyproject.toml
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39 lines (36 loc) · 1.23 KB
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[build-system]
requires = ["setuptools>=64", "wheel"]
build-backend = "setuptools.build_meta"
[project]
name = "py-contact-ms"
version = "0.1.1"
description = "Contact Molecular Surface calculation for protein design — a Python port of Longxing Cao's C++ implementation"
readme = "README.md"
license = "MIT"
requires-python = ">=3.8"
authors = [
{name = "Brian Coventry"},
]
keywords = ["protein", "molecular-surface", "contact", "shape-complementarity", "bioinformatics"]
classifiers = [
"Development Status :: 4 - Beta",
"Intended Audience :: Science/Research",
"Programming Language :: Python :: 3",
"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 :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering :: Chemistry",
]
dependencies = [
"numpy",
"scipy",
]
[project.urls]
Homepage = "https://github.com/ullahsamee/py_contact_ms"
Repository = "https://github.com/ullahsamee/py_contact_ms"
Issues = "https://github.com/ullahsamee/py_contact_ms/issues"
[tool.setuptools.packages.find]
include = ["py_contact_ms*"]