diffractomorph/pyproject.toml at main · Brunaugh-Lab/diffractomorph · GitHub

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[build-system]
requires = ["setuptools>=77.0", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "diffractomorph-pipeline"
dynamic = ["version"]
description = "Multichannel light-scattering analysis as a proxy for particle dissolution."
readme = "README.md"
license = "MIT"
authors = [{name = "Ashlee Brunaugh"}]
maintainers = [{name = "Brunaugh Lab"}]
requires-python = ">=3.10"
classifiers = [
    "Development Status :: 3 - Alpha",
    "Intended Audience :: Science/Research",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3.13",
    "Topic :: Scientific/Engineering :: Chemistry",
]
dependencies = [
    "numpy>=1.24",
    "pandas>=2.0",
    "scipy>=1.10",
    "scikit-learn>=1.3",
    "matplotlib>=3.7",
    "striprtf>=0.0.26",
    "openpyxl>=3.0",
    "miepython>=2.5",
    "pyyaml>=6.0",
    "pdfplumber>=0.10",
    "tomli>=2.0; python_version < '3.11'",
]

[project.optional-dependencies]
dev = ["pytest>=7.0"]
release = ["build>=1.2", "twine>=5.0"]

[project.urls]
Homepage = "https://github.com/Brunaugh-Lab/diffractomorph"
Repository = "https://github.com/Brunaugh-Lab/diffractomorph"
Issues = "https://github.com/Brunaugh-Lab/diffractomorph/issues"

[project.scripts]
dfm-manifest     = "diffractomorph_pipeline.cli:manifest_main"
dfm-run          = "diffractomorph_pipeline.cli:run_main"
dfm-ingest       = "diffractomorph_pipeline.cli:ingest_main"
dfm-noise-filter = "diffractomorph_pipeline.cli:noise_filter_main"
dfm-build-kernel = "diffractomorph_pipeline.cli:build_kernel_main"
dfm-qc           = "diffractomorph_pipeline.cli:qc_main"
dfm-noise-floor  = "diffractomorph_pipeline.cli:noise_floor_main"
dfm-noise-surface = "diffractomorph_pipeline.cli:noise_surface_main"
dfm-extract      = "diffractomorph_pipeline.cli:extract_main"
dfm-aggregate-kww = "diffractomorph_pipeline.cli:aggregate_kww_main"
dfm-diagnostics = "diffractomorph_pipeline.cli:diagnostics_main"

[tool.setuptools.dynamic]
version = {attr = "diffractomorph_pipeline.__version__"}

[tool.setuptools.packages.find]
where = ["src"]

[tool.setuptools.package-data]
diffractomorph_pipeline = [
    "data/schema/*.json",
    "data/examples/synthetic_minimal/*",
]

[tool.pytest.ini_options]
testpaths = ["tests"]
pythonpath = ["tests"]
markers = [
    "public: redistributable installed-package and release-boundary tests",
    "core: hermetic algorithm, schema, adapter, and scientific-contract tests",
    "manuscript: manuscript estimand, source-data, and reproduction-contract tests",
    "real_corpus: optional tests requiring private study data or frozen private artifacts",
]