pyrolite/pyproject.toml at main · morganjwilliams/pyrolite · GitHub

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[build-system]
requires = ["setuptools>=80", "setuptools-scm[simple]>=8"]
build-backend = "setuptools.build_meta"


[project]
name = "pyrolite"
authors = [{ name = "Morgan Williams", email = "morgan.williams@csiro.au" }]
description = "Tools for geochemical data analysis."
license = "MIT"
license-files = ["LICENSE"]
requires-python = ">=3.11"
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "Intended Audience :: Education",
    "Natural Language :: English",
    "Programming Language :: Python :: 3 :: Only",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3.13",
    "Programming Language :: Python :: 3.14",
    "Programming Language :: Python :: 3.15",
    "Framework :: Matplotlib",
    "Topic :: Scientific/Engineering",
    "Topic :: Software Development :: Libraries :: Python Modules",
]
keywords = ["geochemistry", "compositional data", "visualisation", "petrology"]
dynamic = ["version", "readme"]
dependencies = [
    "numpy",
    "periodictable",
    "matplotlib>=3.9",
    "mpltern>=0.4.0",
    "scipy>=1.2",     # uses scipy.optimize.Bounds, added around 1.2
    "sympy>=1.7",
    "pandas>=1.0",    # dataframe acccessors, attrs attribute
    "requests",       # used by alphaMELTS utilities,  util.web
]

[project.urls]
Issues = "https://github.com/morganjwilliams/pyrolite/issues"
Documentation = "https://pyrolite.readthedocs.io/"
Repository = "https://github.com/morganjwilliams/pyrolite"
Changelog = "https://github.com/me/spam/blob/master/CHANGELOG.md"

[project.optional-dependencies]
db = ["pyodbc", "psycopg2"]
notebook = ["ipykernel", "ipywidgets"]
skl = ["scikit-learn", "joblib"]
spatial = ["owslib", "geojson", "psutil"]
stats = ["statsmodels", "scikit-learn"] # statsmodels for conditional ke
excel = ["xlrd", "openpyxl"]

[dependency-groups]
test = ["pytest",  "pytest-cov", "coverage"] # coveralls but only in CI
docs = [
    "sphinx_book_theme",
    "sphinx>=4",
    "sphinx-autodoc-annotation",
    "sphinx-gallery>0.6.0",
    "myst-parser",
    "pypandoc"
]
dev = [
    "ruff",
    "twine",
    "build",
    "pyrolite[skl,notebook]",
    { include-group = "test" },
    { include-group = "docs" },
]

[tool.setuptools.packages.find]
include = ["pyrolite*"]

[tool.setuptools.package-data] # https://setuptools.pypa.io/en/stable/userguide/datafiles.html
pyrolite = [
    "LICENSE",
    "pyrolite/data/Aitchison*",
    "pyrolite/data/geochem/*",
    "pyrolite/data/mineral/*",
    "pyrolite/data/models/*",
    "pyrolite/data/radii/*",
    "pyrolite/data/timescale/*",
    "pyrolite/data/testing/*",
    "pyrolite/data/_config/*",
]

[tool.setuptools.exclude-package-data]
pyrolite = ["test/*", "docs/*", "paper/*", "binder/*", "build/*", "dist/*"]

[tool.setuptools.dynamic]
readme = { file = "README.md", content-type = "text/markdown" }

[tool.setuptools_scm]
fallback_version = "0.0.0"

[tool.uv]
default-groups = ["dev"]

[tool.coverage.run]
relative_files = true
source = ["pyrolite"]
omit = [
    "test/*",                    # Omit test, docs, draft and data files
    "docs/*",
    "**/data",
    "draft/*",
    "pyrolite/util/database.py", # Omit extensions with extra dependencies
    "*/_version.py",             # Ignore _version.py
]

[tool.pytest.ini_options]
python_files = "*.py"
addopts = "--assert=plain --cov=pyrolite --cov-report html --cov-report xml --cov-report term-missing"
testpaths = ["test"]
pythonpath = ["."]