pyproject.toml

[build-system]
requires = ["setuptools>=68", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "graphene-defect-detector"
version = "0.1.0"
description = "Predicting physical properties of nanographene from defect geometry via YOLOv8 object detection, OpenCV shape analysis, and gradient-boosted regression."
readme = "README.md"
requires-python = ">=3.10"
license = { text = "MIT" }
authors = [{ name = "Gabriele Ceccolini" }]
keywords = ["graphene", "defect-detection", "yolo", "computer-vision", "materials-science"]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: MIT License",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Operating System :: OS Independent",
    "Topic :: Scientific/Engineering :: Artificial Intelligence",
    "Topic :: Scientific/Engineering :: Image Recognition",
]

dependencies = [
    "numpy>=1.24",
    "pandas>=2.0",
    "opencv-python>=4.7",
    "pillow>=9.5",
    "scikit-learn>=1.2",
    "matplotlib>=3.7",
    "seaborn>=0.12",
    "pyyaml>=6.0",
    "tqdm>=4.65",
    "joblib>=1.2",
    "chemfiles>=0.10",
    "ultralytics>=8.0",
]

[project.optional-dependencies]
dev = [
    "pytest>=7.4",
    "pytest-cov>=4.1",
    "ruff>=0.4",
    "black>=24.0",
    "mypy>=1.8",
    "pre-commit>=3.6",
]

[project.scripts]
gdd = "graphene_defect_detector.cli:main"

[project.urls]
Repository = "https://github.com/Gabrocecco/GrapheDefectDetector"

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

[tool.setuptools.package-data]
graphene_defect_detector = ["py.typed"]

[tool.ruff]
line-length = 100
target-version = "py310"
src = ["src", "tests"]

[tool.ruff.lint]
select = ["E", "F", "I", "UP", "B", "SIM"]
ignore = ["E501"]

[tool.ruff.lint.per-file-ignores]
# pytest.importorskip(...) must run before importing modules that need the
# optional dependency, which necessarily puts an import after other code.
"tests/test_segmentation.py" = ["E402"]
"tests/test_splitting.py" = ["E402"]

[tool.black]
line-length = 100
target-version = ["py310", "py311"]

[tool.mypy]
# Kept >= the newest stub syntax used by our dependencies (numpy's stubs use
# 3.12's `type` statement); the project itself still targets Python >= 3.10
# per [project.requires-python] above -- this only affects how mypy parses
# third-party .pyi files, not what language features our own code may use.
python_version = "3.12"
ignore_missing_imports = true
warn_unused_ignores = true
namespace_packages = true
explicit_package_bases = true
mypy_path = "src"

[tool.pytest.ini_options]
testpaths = ["tests"]
addopts = "-ra"