pyproject.toml

[build-system]
requires = ["hatchling", "hatch-vcs"]
build-backend = "hatchling.build"

[tool.hatch.metadata]
allow-direct-references = true

[tool.hatch.version]
source = "vcs"

[project]
name = "colav"
# versioning through releases
description = "Calculate protein structural representations (dihedral angles, CA pairwise distances, and strain analysis) for downstream analysis (e.g., PCA, t-SNE, or UMAP)"
license = { text = "MIT License" } 
authors = [
  { name="Ammaar Saeed", email="aasaeed@college.harvard.edu" },
]
readme = "README.md"
requires-python = ">=3.7"
classifiers = [
    "Development Status :: 3 - Alpha",
    "Natural Language :: English",
    "Programming Language :: Python :: 3",
    "License :: OSI Approved :: MIT License",
    "Operating System :: OS Independent",
    "Typing :: Typed",
]
dynamic = ["version"]
dependencies = [
    "jupyter",
    "matplotlib",
    "numpy",
    "scipy",
    "biopandas",
]

# extras
[project.optional-dependencies]
test = [
    "pytest>=6.0", 
    "pytest-cov", 
    "biopandas", 
    "numpy",
    "scipy", 
]
dev = [
    "black",
    "pandas", 
    "biopandas",
    "pytest", 
    "pytest-cov", 
]
docs = [
    "sphinx",
    "myst_parser",
    "sphinx_rtd_theme",
    "nbsphinx",
]

[project.urls]
homepage = "https://hekstra-lab.github.io/colav/"
repository = "https://github.com/Hekstra-Lab/colav/"