pyproject.toml

[build-system]
requires = ["setuptools>=61.0", "setuptools-git-versioning"]
build-backend = "setuptools.build_meta"

# Self-descriptive entries which should always be present
# https://packaging.python.org/en/latest/specifications/declaring-project-metadata/
[project]
name = "quax"
description = "Arbitrary order derivatives of electronic structure computations."
dynamic = ["version"]
readme = "README.md"
authors = [
  { name = "Adam Abbott", email = "adabbott@uga.edu" },
  { name = "Erica Mitchell", email = "emitchell@uga.edu" }
]
license = { text = "BSD-3C" }
# See https://pypi.org/classifiers/
classifiers = [
  "License :: OSI Approved :: BSD License",
  "Programming Language :: Python :: 3",
  "Development Status :: 4 - Beta",
  "Intended Audience :: Science/Research"
]
requires-python = ">=3.9"
# Declare any run-time dependencies that should be installed with the package.
dependencies = [
  "importlib-resources;python_version>'3.8'",
  "numpy>=1.23,<2.0",
  "jax>=0.4.19",
  "jaxlib>=0.4.19",
  "h5py>=2.8.0",
  "scipy>=1.9"
]

# Update the urls once the hosting is set up.
[project.urls]
"Source" = "https://github.com/CCQC/Quax/"
#"Documentation" = "Quax.readthedocs.io/"

[project.optional-dependencies]
test = [
  "pytest>=6.1.2",
  "pytest-cov"
]

[tool.setuptools]
zip-safe = false

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

[tool.setuptools.package-data]
quax = ["integrals/*.so"]

[tool.setuptools-git-versioning]
enabled = true
dev_template = "{tag}.{ccount}+git.{sha}"
dirty_template = "{tag}.{ccount}+git.{sha}.dirty"