qml2/pyproject.toml at main · qml2code/qml2 · GitHub

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[build-system]
build-backend = "setuptools.build_meta"
requires = [
  "setuptools>=61",
]

[project]
name = "qml2"
version = "0.1.7"
description = "Collection of Quantum Machine Learning routines"
readme = "README.md"
license.text = "MIT License"
authors = [
  { name = "Konstantin Karandashev" },
  { name = "Stefan Heinen" },
  { name = "Danish Khan" },
  { name = "Jan Weinreich" },
]
# qml2 uses some Python 3.12 syntax
requires-python = ">=3.12"

classifiers = [
  "Programming Language :: Python :: 3 :: Only",
  "Programming Language :: Python :: 3.12",
  "Programming Language :: Python :: 3.13",
]
dependencies = [
  "numba",
  "numpy",
  "scipy",
]
optional-dependencies.models = [
  "aalto-boss",
]
optional-dependencies.morfeus = [
  "morfeus-ml",
  "rdkit",
]
optional-dependencies.orb_ml = [
  "geometric",
  "pyscf",
]
optional-dependencies.torch = [
  "torch",
]

[tool.setuptools]
packages = [
  "qml2",
  "qml2.cupy",
  "qml2.dataset_formats",
  "qml2.gpytorch",
  "qml2.jit_interfaces",
  "qml2.kernels",
  "qml2.models",
  "qml2.multilevel_sorf",
  "qml2.multilevel_sorf.base_constructors",
  "qml2.multilevel_sorf.processed_object_constructors",
  "qml2.orb_ml",
  "qml2.representations",
  "qml2.test_utils",
]

[tool.setuptools.package-data]
qml2 = [
  "*/*.cu",
]