pyproject.toml

[build-system]
requires = ["setuptools>=64", "setuptools_scm>=8"]
build-backend = "setuptools.build_meta"
include-package-data = true

[project]
name = "openpharmmdflow"
dynamic = ["version"]
description = ''
readme = "README.md"
requires-python = ">=3.11"
license = {text = "MIT"}
keywords = []
authors = [
  { name = "Mike Henry", email = "11765982+mikemhenry@users.noreply.github.com" },
]
classifiers = [
  "Development Status :: 4 - Beta",
  "Programming Language :: Python",
  "Programming Language :: Python :: 3.8",
  "Programming Language :: Python :: 3.9",
  "Programming Language :: Python :: 3.10",
  "Programming Language :: Python :: 3.11",
  "Programming Language :: Python :: 3.12",
  "Programming Language :: Python :: Implementation :: CPython",
  "Programming Language :: Python :: Implementation :: PyPy",
]
dependencies = []

[project.urls]
Documentation = "https://github.com/omsf/openpharmmdflow#readme"
Issues = "https://github.com/omsf/openpharmmdflow/issues"
Source = "https://github.com/omsf/openpharmmdflow"

[tool.setuptools]
packages = ["openpharmmdflow"]

[tool.setuptools_scm]
version_file = "openpharmmdflow/_version.py"
fallback_version = "0.0.0"

[tool.isort]
profile = "black"
force_single_line = "true"

[tool.pytest.ini_options]
addopts = "--ignore=examples/small_molecules/bespoke-fit/bespokefit.ipynb --ignore=examples/mini_mvp/mini_mvp.ipynb"