@@ -8,10 +8,8 @@ dynamic = ["version"]
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description = " Package for reading of .xyz files and constructing of molecular graphs from atomic coordinates."
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readme = " README.md"
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requires-python = " >=3.8"
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- license = {file = " LICENSE" }
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- authors = [
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- { name = " Mykola Zotko" , email = " dev.zotko@outlook.de" }
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- ]
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+ license = { file = " LICENSE" }
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+ authors = [{ name = " Mykola Zotko" , email = " dev.zotko@outlook.de" }]
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keywords = [" chemistry" , " molecular-graphs" , " xyz-files" , " visualization" ]
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classifiers = [
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" Development Status :: 5 - Production/Stable" ,
@@ -27,11 +25,7 @@ classifiers = [
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" Topic :: Scientific/Engineering :: Chemistry" ,
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" Topic :: Scientific/Engineering :: Visualization" ,
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]
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- dependencies = [
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- " numpy>=1.21.0" ,
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- " plotly>=5.0.0" ,
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- " networkx>=2.6.0" ,
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- ]
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+ dependencies = [" numpy>=1.21.0" , " plotly>=5.0.0" , " networkx>=2.6.0" ]
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[tool .hatch .version ]
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source = " vcs"
@@ -46,7 +40,8 @@ Documentation = "https://zotko.github.io/xyz2graph"
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docs = [
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" mkdocs>=1.6.0" ,
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" mkdocs-material>=9.5.0" ,
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- " mkdocstrings[python]>=1.12.0"
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+ " mkdocstrings[python]>=0.18" ,
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+ " mkdocs-include-markdown-plugin" ,
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]
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dev = [
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" pytest>=7.0.0,<8.0.0" ,
@@ -55,6 +50,7 @@ dev = [
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" mypy>=1.0.0,<2.0.0" ,
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" build>=1.0.0,<2.0.0" ,
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" twine>=4.0.0,<5.0.0" ,
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+ " pre-commit>=3.5.0" ,
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]
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[tool .ruff ]
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