pyproject.toml

[build-system]
requires = ["setuptools"]
build-backend = "setuptools.build_meta"

[tool.distutils.bdist_wheel]
universal = true

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

[tool.setuptools.package-data]
"*" = [
  "src/ellipticbn/data/*.txt",
  "src/ellipticbn/data/*.csv"
]

[project]
name = "ellipticbn"
dynamic = ["version"]
dependencies = [
  "numpy>=1.10",
  "networkx",
  "scikit-learn",
  "plotly",
  "pandas",
  "matplotlib",
  "xlsxwriter",
  "mdanalysis",
  "scipy"
]

requires-python = ">=3.9"
authors = [
  {name = "Michael Shavlik", email = "mshavlik@uoregon.edu"},
  {name = "Mike Harms", email = "harms@uoregon.edu"},
]
maintainers = [
  {name = "Mike Harms", email = "harms@uoregon.edu"}
]
description = "Automatically measure the ellipticity of cucurbituril macrocycles!"
readme = "README.md"
license = {file = "LICENSE"}
keywords = ["macrocycle", "cucurbituril", "ellipticity", "chemistry", "geometry", "host", "guest"]
classifiers = [
  "Development Status :: 5 - Production/Stable",
  "Programming Language :: Python"
]

[project.urls]
Repository = "https://github.com/harmslab/ellipticbn.git"
"Bug Tracker" = "https://github.com/harmslab/ellipticbn/issues"

[project.scripts]
ellipticbn = "ellipticbn.run_all:main_cli"

[project.optional-dependencies]
test = [
  "coverage",
  "flake8",
  "pytest"
 ]