lingyuzeng
c0ead42384
Implement the standard/non-standard/not-macrolactone classification layer and integrate it into analyzer, fragmenter, and CLI outputs. Port the remaining legacy package capabilities into new visualization and workflow modules, restore batch/statistics/SDF scripts on top of the flat CSV workflow, and update active docs to the new package API.
30 lines
654 B
TOML
30 lines
654 B
TOML
[build-system]
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requires = ["setuptools>=69", "wheel"]
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build-backend = "setuptools.build_meta"
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[project]
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name = "macro_lactone_toolkit"
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version = "0.1.0"
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description = "Toolkit for macrolactone detection, numbering, fragmentation, and splicing."
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readme = "README.md"
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requires-python = ">=3.12"
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license = { text = "MIT" }
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authors = [
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{ name = "Macro Split Team" },
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]
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dependencies = [
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"matplotlib>=3.10",
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"numpy>=1.26",
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"pandas>=2.2",
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]
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[project.scripts]
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macro-lactone-toolkit = "macro_lactone_toolkit.cli:main"
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[tool.setuptools.packages.find]
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where = ["src"]
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include = ["macro_lactone_toolkit*"]
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[tool.pytest.ini_options]
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testpaths = ["tests"]
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