pyproject.toml

[build-system]
requires = [
  "nanobind-backend>=1.0.0",
  "nanobind==3.0.0",
  "scikit-build-core>=1.0.3,<2",
  "setuptools-scm>=8",
]
build-backend = "scikit_build_core.build"


[project]
name = "monoprop"
authors = [
  { name = "Algorithmiq Development Team", email = "info@algorithmiq.fi" },
]
description = "Quantum circuit simulation with monomial propagation. Both Pauli and Majorana supported."
license = "Apache-2.0"
license-files = ["LICENSE"]
readme = "README.md"
requires-python = ">=3.11,<3.15"
classifiers = [
  "Development Status :: 3 - Alpha",
  "Intended Audience :: Science/Research",
  "Intended Audience :: Developers",
  "Operating System :: OS Independent",
  "Programming Language :: Python",
  "Programming Language :: Python :: 3",
  "Programming Language :: Python :: 3 :: Only",
  "Programming Language :: Python :: 3.11",
  "Programming Language :: Python :: 3.12",
  "Programming Language :: Python :: 3.13",
  "Programming Language :: Python :: 3.14",
  "Topic :: Scientific/Engineering :: Chemistry",
  "Topic :: Scientific/Engineering :: Physics",
  "Topic :: Scientific/Engineering",
  "Topic :: Software Development :: Libraries :: Python Modules",
  "Typing :: Typed",
]
dynamic = ["version"]
dependencies = ["msgpack>=1.0.0", "nanobind-backend>=1.0.0", "numpy>=2"]


[project.urls]
Homepage = "https://github.com/Algorithmiq/monoprop"
"Bug Tracker" = "https://github.com/Algorithmiq/monoprop/issues"
Discussions = "https://github.com/Algorithmiq/monoprop/discussions"
Changelog = "https://github.com/Algorithmiq/monoprop/releases"

[project.optional-dependencies]
mpi = ["mpi4py>=4.1.0"]
qiskit = ["qiskit>=2.0.0"]

[dependency-groups]
dev = ["prek>=0.4", "ruff==0.15.20"]
# The documentation site is built with Fumadocs (Next.js); see `docs/`.
# Python's only roles are converting the tutorial notebooks to Markdown
# (`nbconvert`) and dumping the API surface from docstrings (`griffe`, driven by
# `docs/scripts/gen_api_dump.py` in the `gen-api` recipe).
docs = [
  "griffelib>=2.2,<3",
  "nbconvert",
  "pytest-markdown-docs",
  { include-group = "interactive" },
]
interactive = [
  "ipykernel",
  "matplotlib",
  "pylatexenc",
  "qiskit>=2.0.0",
  "pyscf",
]
# Dependencies of monoprop's own suite (`tests/`). Deliberately free of workspace
# members: cibuildwheel installs this group to exercise a *built wheel*, and a
# workspace member would drag monoprop back in from source.
test = [
  "psutil>=7.2",
  "pytest-cases>=3.8.6,<4",
  "pytest-cov>=7.1.0",
  "pytest-datadir",
  # depend on branch which only outputs from rank zero
  "pytest-mpi @ git+https://github.com/aragilar/pytest-mpi.git@nonzero",
  "pytest>=8.2.2,<9.1",
  "tabulate>=0.9",
]
# What `uv run pytest` needs at the repository root, which also collects the
# workspace members' suites (see `testpaths`).
workspace-test = [{ include-group = "test" }, "monoprop-bench-tools"]
bench = [{ include-group = "workspace-test" }, "pytest-benchmark>=5"]


[tool.uv]
python-preference = "only-managed"
keyring-provider = "subprocess"
cache-keys = [
  { file = "pyproject.toml" },
  { file = "CMakeLists.txt" },
  { file = "cmake/**/*" },
  { file = "cpp/**/CMakeLists.txt" },
  { file = "cpp/include/**/*.h" },
  { file = "cpp/include/**/*.h.in" },
  { file = "cpp/monoprop/**/*.{h,cpp}" },
  { file = "src/monoprop/**/CMakeLists.txt" },
  { file = "src/monoprop/bindings/binder.h" },
  { file = "src/monoprop/bindings/bindings.cpp.in" },
  { file = "tools/*.py" },
]


[tool.uv.workspace]
members = ["packages/*"]
exclude = ["packages/bench-third-party"]

[tool.uv.sources]
monoprop-bench-tools = { workspace = true }


[[tool.dynamic-metadata]]
provider = "scikit_build_core.metadata.setuptools_scm"


[tool.scikit-build]
# protect the configuration against future changes in scikit-build-core
minimum-version = "build-system.requires"
# setuptools-style build caching in a local directory
build-dir = "build/{state}/{build_type}"
# build stable ABI wheels for CPython 3.11
wheel.py-api = "cp311"
logging.level = "INFO"
# read CMake version from CMakeLists.txt
cmake.version = "CMakeLists.txt"
cmake.build-type = "Release"
ninja.make-fallback = false
sdist.exclude = [
  ".github",
  ".devcontainer",
  ".vscode",
  "packages",
  "performance_scripts",
  "results",
  "src/ex_script.cpp",
  "tests/cpp",
  "sandbox",
  ".clang-format",
  ".clang-tidy",
  ".copier-answers.yml",
  ".gersemirc",
  ".gitignore",
  "flake.lock",
  "flake.nix",
  "nix",
  "prek.toml",
  ".prettierignore",
  "cspell.json",
]
sdist.include = [
  "src/monoprop/_version.py",
  "src/monoprop/_dispatch.py",
  ".github/license-header.txt",
]
build.verbose = true
build.tool-args = ["-j2"]
# monoprop_ENABLE_MPI is the source-build switch. Overrides can only match
# environment variables, never config-settings, so setting an equivalent CMake
# define directly does not activate any associated build requirements.
[[tool.scikit-build.overrides]]
if.env.monoprop_ENABLE_MPI = true
build.requires = ["mpi4py>=4.1.0"]
cmake.define.monoprop_ENABLE_MPI = "ON"


[tool.setuptools_scm]
write_to = "src/monoprop/_version.py"


[tool.pytest.ini_options]
minversion = "8.0"
log_cli = true
log_cli_level = "INFO"
log_cli_format = "%(asctime)s [%(levelname)s] %(message)s (%(filename)s:%(lineno)s)"
log_date_format = "%Y%m%d %H:%M:%S"
addopts = [
  "--import-mode=importlib",
  "-ra",
  "--showlocals",
  "--strict-markers",
  "--strict-config",
]
xfail_strict = true
filterwarnings = ["error"]
testpaths = ["tests", "packages/monoprop-bench-tools/tests"]
# Collect both the test suite (test_*.py) and the benchmark suite (bench_*.py);
# benches/ is excluded from testpaths so it only runs when invoked explicitly.
python_files = ["test_*.py", "bench_*.py"]
pythonpath = ["."]
markers = [
  "slow: mark test as slow (>=1 minute runtime)",
  "mpi: mark test as requiring --with-mpi (pytest-mpi)",
  "qiskit: mark test as requiring qiskit (optional dependency)",
]
required_plugins = ["pytest-cases", "pytest-datadir", "pytest-mpi"]


[tool.coverage.run]
source = ["src/monoprop"]
branch = true
relative_files = true
omit = ["src/monoprop/_version.py", "src/monoprop/_dispatch.py"]

[tool.coverage.report]
omit = ["src/monoprop/_version.py", "src/monoprop/_dispatch.py"]
exclude_also = [
  '\.\.\.',
  "def __repr__",
  "if self.debug:",
  "if settings.DEBUG:",
  "raise NotImplementedError",
  "if 0:",
  "if __name__ == .__main__.:",
  "class .*\\bProtocol\\):",
  "@(abc\\.)?abstractmethod",
  "if (typing\\.)?TYPE_CHECKING:",
  "@jit\\(",
  "@njit\\(",
  '^\s*\.\.\.',
  "logger =",
  "logger\\.",
  "return NotImplemented",
  "@overload",
]


[tool.ruff]
# for the default settings, see: https://docs.astral.sh/ruff/configuration/#configuring-ruff
exclude = [
  "src/monoprop/_version.py",
  "packages/monoprop-bench-tools/src/monoprop_bench_tools/_version.py",
  "docs/conf.py",
  "performance_scripts/*.py",
]

target-version = "py311"

[tool.ruff.format]
# enable auto-formatting of code examples in docstrings
docstring-code-format = true

# set the line length limit used when formatting code snippets in
# docstrings
docstring-code-line-length = "dynamic"

[tool.ruff.lint]
extend-select = [
  "A",      # flake8-builtins
  "ANN",    # flake8-annotations
  "ARG",    # flake8-unused-arguments
  "BLE",    # flake8-blind-except
  "C4",     # flake8-comprehensions
  "C90",    # mccabe
  "D",      # pydocstyle
  "E",
  "W",      # pycodestyle
  "ERA",    # eradicate
  "EXE",    # flake8-executable
  "FBT",    # flake8-boolean-trap
  "FLY",    # flynt
  "FURB",   # refurb
  "G",      # flake8-logging-format
  "I",      # isort
  "ICN",    # flake8-import-conventions
  "INP",    # flake8-no-pep420
  "ISC003", # flake8-implicit-str-concat: explicit-string-concatenation (other rules conflict with the formatter)
  "N",      # pep8-naming
  "NPY",    # NumPy-specific rules
  "PERF",   # perflint
  "PIE",    # flake8-pie
  "PLC",    # pylint convention
  "PLE",    # pylint error
  "PLR",    # pylint refactor
  "PLW",    # pylint warning
  "PT",     # flake8-pytest-style
  "PTH",    # flake8-use-pathlib
  "PYI",    # flake8-pyi
  "RET",    # flake8-return
  "RSE",    # flake8-raise
  "RUF",    # Ruff-specific rules
  "S",      # flake8-bandit
  "SIM",    # flake8-simplify
  "SLOT",   # flake8-slot
  "T20",    # flake8-print
  "TCH",    # flake8-type-checking
  "TID",    # flake8-tidy-imports
  "UP",     # pyupgrade
  "YTT",    # flake8-2020
  "TRY",    # tryceratops
]

ignore = [
  "D206",    # indent-with-spaces: enforced by the formatter
  "E111",    # indentation-with-invalid-multiple: enforced by the formatter
  "E114",    # indentation-with-invalid-multiple-ment: enforced by the formatter
  "E117",    # over-indented: enforced by the formatter
  "N803",    # pep8-naming: "argument name should be lowercase"
  "N806",    # pep8-naming: "variable in function should be lowercase"
  "PLR0913", # pylint refactor: "too many arguments to function call"
  "PLR0915", # pylint refactor: "too many statements"
  "PLR2004", # pylint refactor: "magic value used in comparison"
  "TRY003",  # tryceratops: "Avoid specifying long messages outside the exception class"
  "W191",    # tab-indentation: enforced by the formatter
]

# do not attempt autofix with `--fix` for the following rules
unfixable = [
  "ERA",  # removes commented-out code
  "F401", # removes unused imports
  "F841", # removes unused variables
  "T20",  # removes print statements
]

# allow unused variadic arguments, like *args and **kwargs.
flake8-unused-arguments.ignore-variadic-names = true
flake8-annotations.allow-star-arg-any = true

[tool.ruff.lint.per-file-ignores]
# ignore for contents of `tests`:
# - S101 (flake8-bandit `AssertUsed`),
# - D (pydocstyle)
# - C901 (mccabe)
# - INP001 (flake8-no-pep420)
# - E721 (type-comparison)
"tests/*" = ["S101", "D", "C901", "INP001", "E721"]
# ignore for all `test_*.py` files
# - ANN (flake8-annotations)
# - I002 (isort required import)
"tests/**/test_*.py" = ["ANN", "I002"]
# workspace members carry their own test suites, under the same relaxations
"packages/*/tests/*" = ["S101", "D", "C901", "INP001", "E721", "ANN", "I002"]
# ignore I002 (isort required import) for all `__init__.py` files
"src/monoprop/**/__init__.py" = ["I002"]
# benchmark suite: asserts are fine (S101), it is an intentional non-package
# directory holding pytest modules (INP001), and the MPI communicator type is
# unavoidably dynamic (ANN401).
"benches/*" = ["S101", "INP001", "ANN401"]
# benchmark test functions: annotations on the pytest signatures are just noise.
"benches/bench_*.py" = ["ANN"]
# the report renderer writes to stdout by design (T201) and the MPI communicator
# type is unavoidably dynamic (ANN401).
"packages/monoprop-bench-tools/src/**" = ["ANN401", "T201"]
# cupy comes from an optional, GPU-only extra, so it is imported inside the
# functions that need it (PLC0415).
"packages/monoprop-bench-tools/src/monoprop_bench_tools/memory/gpu.py" = [
  "PLC0415",
]

[tool.ruff.lint.pycodestyle]
# maximum line length to allow for line-length violations within documentation,
# including standalone comments
max-doc-length = 140
max-line-length = 120

[tool.ruff.lint.pydocstyle]
convention = "google"

[tool.ruff.lint.isort]
required-imports = ["from __future__ import annotations"]


[tool.pyright]
pythonVersion = "3.11"

include = ["src/monoprop/**/*.py"]

exclude = ["test_*.py", "docs/**", "**/__pycache__"]

typeCheckingMode = "basic"
useLibraryCodeForTypes = true

reportGeneralTypeIssues = "information"
reportMissingImports = true
reportMissingTypeStubs = "warning"
reportImportCycles = "information"
reportPrivateUsage = "information"
reportPrivateImportUsage = "information"
reportUnnecessaryIsInstance = "information"
reportUnnecessaryCast = "information"
reportUnnecessaryComparison = "information"
reportUnnecessaryContains = "information"
reportUnnecessaryTypeIgnoreComment = "information"
reportMatchNotExhaustive = "information"


[tool.cibuildwheel]
build = "cp3??-*"
build-frontend = "uv"
build-verbosity = 1
skip = ["*-musllinux_*"]
test-command = "python -m pytest {package}/tests"
test-groups = ["test"]
test-extras = ["qiskit"]

[tool.cibuildwheel.linux]
before-all = ["./tools/install-deps.sh --skip-boost-test --skip-msgpack"]
environment = { SKBUILD_CMAKE_ARGS = "-Dmonoprop_ENABLE_ARCH_FLAGS=OFF;-Dmonoprop_ENABLE_CXX_UNIT_TESTS=OFF;-Dmonoprop_ENABLE_MPI=OFF" }

[tool.cibuildwheel.macos]
before-all = "brew install boost hwloc"
environment = { MACOSX_DEPLOYMENT_TARGET = "15.0", SKBUILD_CMAKE_ARGS = "-Dmonoprop_ENABLE_ARCH_FLAGS=OFF;-Dmonoprop_ENABLE_CXX_UNIT_TESTS=OFF;-Dmonoprop_ENABLE_MPI=OFF" }