pyproject.toml

[build-system]
requires = ["setuptools>=45", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "HSPiPy"
dynamic = ["version"]
description = "Hansen Solubility Parameters in Python"
readme = "README.md"
license = {text = "MIT"}
authors = [
    {name = "Alejandro Gutierrez", email = "agutierrez@g-npd.com"}
]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Developers", 
    "Intended Audience :: Science/Research",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Software Development :: Libraries :: Python Modules",
    "License :: OSI Approved :: MIT License",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
]
requires-python = ">=3.10"
dependencies = [
    "scipy>=1.11.0",
    "pandas>=1.0.0",
    "matplotlib>=3.0.0", 
    "numpy>=1.18.0",
    "scikit-learn>=1.6.0",
]
keywords = ["hansen", "solubility", "parameters", "chemistry", "solvents"]

[project.optional-dependencies]
test = [
    "pytest>=6.0",
    "pytest-cov>=2.0",
]
dev = [
    "pytest>=6.0",
    "pytest-cov>=2.0",
    "black>=22.0",
    "flake8>=4.0",
    "isort>=5.0",
]

[project.urls]
Homepage = "https://github.com/Gnpd/HSPiPy"
Repository = "https://github.com/Gnpd/HSPiPy"
Issues = "https://github.com/Gnpd/HSPiPy/issues"

[tool.setuptools.package-data]
hspipy = ["*.csv", "*.png"]

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

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

# Test configuration
[tool.pytest.ini_options]
testpaths = ["tests"]
python_files = ["test_*.py"]
python_classes = ["Test*"]
python_functions = ["test_*"]
addopts = [
    "-v",
    "--tb=short",
    "--strict-markers",
]
markers = [
    "slow: marks tests as slow (deselect with '-m \"not slow\"')",
]