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pyproject.toml
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[build-system]
requires = ["setuptools", "wheel"]
build-backend = "setuptools.build_meta"
[project]
name = "MatchMolecule"
version = "2025.1"
description = "Match parts of molecules using SMILES like query strings"
keywords = ["ovito", "ovito-extension"]
authors = [{name = "Daniel Utt", email = "[email protected]"}]
maintainers = [{name = "Daniel Utt", email = "[email protected]"}]
license = {text = "MIT"}
readme = "README.md"
requires-python = ">=3.9"
dependencies = [
"ovito >= 3.10.6",
"networkx >= 3.0",
]
[project.urls]
repository = "https://github.com/ovito-org/MatchMolecule"
[project.entry-points.'OVITO.Modifier']
"Match Molecule" = "MatchMolecule:MatchMolecule"
[tool.setuptools.packages.find]
where = ["src"]
[tool.pytest.ini_options]
filterwarnings = [
"error",
"ignore:module 'sre_parse' is deprecated:DeprecationWarning",
"ignore:module 'sre_constants' is deprecated:DeprecationWarning",
]