Variational_Quantum_Eigensolver/pyproject.toml at main · SidRichardsQuantum/Variational_Quantum_Eigensolver · GitHub

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[build-system]
requires = ["setuptools>=64", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "vqe-pennylane"
version = "0.3.25"
description = "Quantum Simulation Suite with VQE, QPE, and QITE modules (PennyLane-based)"
readme = { file = "README.md", content-type = "text/markdown" }
authors = [{ name = "Sid Richards", email = "siddrichards@hotmail.co.uk" }]
license = "MIT"
license-files = ["LICENSE"]
requires-python = ">=3.10"

dependencies = [
  "pennylane>=0.42,<0.45",
  "numpy>=1.23,<2.0",
  "scipy>=1.10,<2.0",
  "matplotlib",
  "openfermion",
  "openfermionpyscf",
]

keywords = ["quantum", "VQE", "QPE", "QITE", "simulation", "pennylane", "quantum-chemistry"]
classifiers = [
  "Development Status :: 4 - Beta",
  "Intended Audience :: Science/Research",
  "Operating System :: OS Independent",
  "Programming Language :: Python :: 3",
  "Programming Language :: Python :: 3.10",
  "Programming Language :: Python :: 3.11",
  "Programming Language :: Python :: 3.12",
  "Programming Language :: Python :: 3.13",
  "Topic :: Scientific/Engineering :: Physics",
]

[project.urls]
Homepage = "https://github.com/SidRichardsQuantum/Variational_Quantum_Eigensolver"
Issues = "https://github.com/SidRichardsQuantum/Variational_Quantum_Eigensolver/issues"
Documentation = "https://sidrichardsquantum.github.io/Variational_Quantum_Eigensolver/"

[project.optional-dependencies]
dev = [
  "pytest>=8.0",
  "black==26.1.0",
  "ruff==0.14.11",
  "mypy",
]
docs = [
  "sphinx",
  "furo",
  "myst-parser",
  "sphinxcontrib-mermaid",
]

[tool.pytest.ini_options]
addopts = "-m 'not slow'"
markers = [
  "slow: tests that are useful integration coverage but too expensive for the default PR loop",
  "chemistry: tests that build real chemistry Hamiltonians or invoke expensive quantum chemistry backends",
  "full_chemistry: broad chemistry coverage across many registered molecules",
  "cli_subprocess: tests that validate python -m entrypoints in a separate interpreter",
]
filterwarnings = [
  "error::pennylane.exceptions.PennyLaneDeprecationWarning",
  "error::DeprecationWarning",
  "error::SyntaxWarning",
  "ignore:Output seems independent of input\\.:UserWarning:autograd\\.tracer",
]

[project.scripts]
vqe = "vqe.__main__:main"
qpe = "qpe.__main__:main"
qite = "qite.__main__:main"

[tool.setuptools.packages.find]
include = ["vqe*", "qpe*", "qite*", "common*"]

[tool.setuptools]
include-package-data = true

[tool.black]
line-length = 88
target-version = ["py310"]
extend-exclude = '''
/(
  \.venv
  | venv
  | build
  | dist
  | results
  | images
  | vendor_wheels
  | notebooks
)/
| \.ipynb$
'''

[tool.ruff]
target-version = "py310"
line-length = 88
exclude = [
  ".venv",
  "venv",
  "build",
  "dist",
  "results",
  "images",
  "vendor_wheels",
  "**/*.ipynb",
]

[tool.ruff.lint]
select = ["E", "F", "I"]
ignore = ["E501"]

[tool.ruff.lint.isort]
known-first-party = ["vqe", "qpe", "qite", "common"]

[tool.ruff.lint.per-file-ignores]
"**/__init__.py" = ["F401", "I001"]
"tests/test_*.py" = ["I001"]
"tests/test_imports.py" = ["F401"]

[tool.mypy]
python_version = "3.10"
files = [
  "common",
  "vqe",
  "qpe",
  "qite",
]
warn_unused_configs = true
ignore_missing_imports = true
follow_imports = "skip"
check_untyped_defs = true
no_implicit_optional = true