Improve ruff config

.pre-commit-config.yaml

@@ -35,6 +35,14 @@ repos:
       - id: fix-ligatures
       - id: fix-smartquotes
 
+  # Check for common mistakes
+  - repo: https://github.com/pre-commit/pygrep-hooks
+    rev: v1.10.0
+    hooks:
+      - id: rst-backticks
+      - id: rst-directive-colons
+      - id: rst-inline-touching-normal
+
   # Clean jupyter notebooks
   - repo: https://github.com/srstevenson/nb-clean
     rev: "3.2.0"
@@ -75,7 +83,7 @@ repos:
     rev: v1.9.0
     hooks:
       - id: mypy
-        files: ^(src|tests|setup.py)
+        files: ^(src|tests)
         args: []
         additional_dependencies:
           - pytket_qiskit
@@ -88,3 +96,19 @@ repos:
           - types-requests
           - types-tqdm
           - types-flask
+
+  # Catch common capitalization mistakes
+  - repo: local
+    hooks:
+      - id: disallow-caps
+        name: Disallow improper capitalization
+        language: pygrep
+        entry: PyBind|Numpy|Cmake|CCache|Github|PyTest|Mqt|Tum
+        exclude: .pre-commit-config.yaml
+
+  # Check best practices for scientific Python code
+  - repo: https://github.com/scientific-python/cookie
+    rev: 2024.03.10
+    hooks:
+      - id: sp-repo-review
+        additional_dependencies: ["repo-review[cli]"]

docs/Abstraction_levels.rst

@@ -52,7 +52,7 @@ shown above.
 
 Different quantum computer realizations support
 different native gate-sets. In our example, we consider the
-`ibmq_manila` device as the target device which natively supports I, X, √X, Rz and CX gates.
+``ibmq_manila`` device as the target device which natively supports I, X, √X, Rz and CX gates.
 Consequently, the Ry gates in the previous figure have to be converted using only these native gates. In this case,
 they are substituted by a sequence of X and Rz gates (denoted as • with a phase of −π).
 
@@ -63,10 +63,10 @@ they are substituted by a sequence of X and Rz gates (denoted as • with a phas
 
 .. image:: /_static/arch.png
    :width: 15%
-   :alt: Illustration of the `ibmq_manila` device
+   :alt: Illustration of the ``ibmq_manila`` device
    :align: center
 
-The architecture of the `ibmq_manila` device is shown above on the right and it defines between which qubits a two-qubit operation may be performed.
+The architecture of the ``ibmq_manila`` device is shown above on the right and it defines between which qubits a two-qubit operation may be performed.
 Since the circuit shown in the previous figure contains CX gates operating between all combination of qubits,
 there is no mapping directly matching the target architecture's layout. As a consequence,
 a non-trivial mapping followed by a round of optimization leads to the resulting circuit
@@ -80,4 +80,4 @@ shown below.
 This is also the reason for the different sequence of CX gates compared
 to the previous example.
 
-This circuit is now executable on the `ibmq_manila` device, since all hardware induced requirements are fulfilled.
+This circuit is now executable on the ``ibmq_manila`` device, since all hardware induced requirements are fulfilled.

docs/Parameter.rst

@@ -16,7 +16,7 @@ The ``mqt.bench.get_benchmark`` method has the following signature:
 * ``circuit_size``\ : for most of the cases this is equal to number of qubits
   (all scalable benchmarks except ``"qwalk-v-chain"`` and ``"grover-v-chain"``\ ) while for all other the qubit number is higher
 * ``compiler``\ : ``"qiskit"`` or ``"tket"``
-* `compiler_settings`: Optimization level for `"qiskit"` (`0`-`3`), placement for `"tket"` (`lineplacement` or `graphplacement`), exemplary shown:
+* ``compiler_settings``: Optimization level for ``"qiskit"`` (``0``-``3``), placement for ``"tket"`` (``lineplacement`` or ``graphplacement``), exemplary shown:
 
 .. code-block:: python
 

noxfile.py

@@ -0,0 +1,63 @@
+"""Nox sessions."""
+
+from __future__ import annotations
+
+import argparse
+import os
+
+import nox
+
+nox.needs_version = ">=2024.3.2"
+nox.options.default_venv_backend = "uv|virtualenv"
+
+PYTHON_ALL_VERSIONS = ["3.10", "3.11", "3.12"]
+
+BUILD_REQUIREMENTS = [
+    "setuptools>=61",
+    "setuptools_scm>=7",
+]
+
+if os.environ.get("CI", None):
+    nox.options.error_on_missing_interpreters = True
+
+
+@nox.session(reuse_venv=True)
+def lint(session: nox.Session) -> None:
+    """Lint the Python part of the codebase using pre-commit.
+
+    Simply execute `nox -rs lint` to run all configured hooks.
+    """
+    session.install("pre-commit")
+    session.run("pre-commit", "run", "--all-files", *session.posargs)
+
+
+@nox.session(reuse_venv=True)
+def docs(session: nox.Session) -> None:
+    """Build the docs. Use "--non-interactive" to avoid serving. Pass "-b linkcheck" to check links."""
+    parser = argparse.ArgumentParser()
+    parser.add_argument("-b", dest="builder", default="html", help="Build target (default: html)")
+    args, posargs = parser.parse_known_args(session.posargs)
+
+    serve = args.builder == "html" and session.interactive
+    extra_installs = ["sphinx-autobuild"] if serve else []
+    session.install(*BUILD_REQUIREMENTS, *extra_installs)
+    session.install("--no-build-isolation", "-ve.[docs]")
+    session.chdir("docs")
+
+    if args.builder == "linkcheck":
+        session.run("sphinx-build", "-b", "linkcheck", ".", "_build/linkcheck", *posargs)
+        return
+
+    shared_args = (
+        "-n",  # nitpicky mode
+        "-T",  # full tracebacks
+        f"-b={args.builder}",
+        ".",
+        f"_build/{args.builder}",
+        *posargs,
+    )
+
+    if serve:
+        session.run("sphinx-autobuild", *shared_args)
+    else:
+        session.run("sphinx-build", "--keep-going", *shared_args)

pyproject.toml

@@ -89,6 +89,13 @@ testpaths = ["tests"]
 addopts = ["-ra", "--strict-markers", "--strict-config", "--showlocals"]
 log_cli_level = "INFO"
 xfail_strict = true
+filterwarnings = [
+    "error",
+    "ignore:.*pkg_resources.*:DeprecationWarning:",
+    "ignore:.*sre_.*:DeprecationWarning:",
+    "ignore:.*Rigetti.*:UserWarning:",
+    "ignore:.*Values in x.*:RuntimeWarning:",
+]
 
 [tool.coverage]
 run.source = ["mqt.bench", "mqt.benchviewer"]
@@ -108,7 +115,6 @@ mypy_path = "$MYPY_CONFIG_FILE_DIR/src"
 files = ["src", "tests", "setup.py"]
 python_version = "3.10"
 strict = true
-show_error_codes = true
 enable_error_code = ["ignore-without-code", "redundant-expr", "truthy-bool"]
 warn_unreachable = true
 explicit_package_bases = true
@@ -126,12 +132,13 @@ ignore_missing_imports = true
 line-length = 120
 extend-include = ["*.ipynb"]
 src = ["src"]
+preview = true
 unsafe-fixes = true
 
 [tool.ruff.lint]
 extend-select = [
     "A",           # flake8-builtins
-#    "ANN",         # flake8-annotations
+    "ANN",         # flake8-annotations
     "ARG",         # flake8-unused-arguments
     "ASYNC",       # flake8-async
     "B",  "B904",  # flake8-bugbear
@@ -141,11 +148,13 @@ extend-select = [
     "EXE",         # flake8-executable
     "FA",          # flake8-future-annotations
     "FLY",         # flynt
+    "FURB",        # refurb
     "I",           # isort
     "ICN",         # flake8-import-conventions
     "ISC",         # flake8-implicit-str-concat
-  #  "N",           # flake8-naming
-  #  "NPY",         # numpy
+    "LOG",         # flake8-logging-format
+    "N",           # flake8-naming
+    "NPY",         # numpy
     "PERF",        # perflint
     "PGH",         # pygrep-hooks
     "PIE",         # flake8-pie
@@ -166,19 +175,24 @@ extend-select = [
     "UP",          # pyupgrade
     "YTT",         # flake8-2020
 ]
-extend-ignore = [
-    "PLR",  # Design related pylint codes
-    "ISC001", # Added because of ruff-format warning
+ignore = [
+    "ANN101",  # Missing type annotation for self in method
+    "ANN102",  # Missing type annotation for cls in classmethod
+    "ISC001",  # Conflicts with formatter
+    "E501",    # Line too long (Black is enough)
+    "PLR",     # Design related pylint codes
+    "S101",    # Use of assert detected
 ]
+flake8-unused-arguments.ignore-variadic-names = true
 isort.required-imports = ["from __future__ import annotations"]
 
-[tool.ruff.per-file-ignores]
+[tool.ruff.lint.per-file-ignores]
 "*.pyi" = ["D"]  # pydocstyle
 "*.ipynb" = [
     "D",    # pydocstyle
     "E402", # Allow imports to appear anywhere in Jupyter notebooks
     "I002", # Allow missing `from __future__ import annotations` import
 ]
 
-[tool.ruff.pydocstyle]
+[tool.ruff.lint.pydocstyle]
 convention = "google"

src/mqt/bench/__init__.py

@@ -12,14 +12,14 @@
 )
 
 __all__ = [
+    "BenchmarkGenerator",
+    "CompilerSettings",
+    "QiskitSettings",
+    "TKETSettings",
     "generate",
     "get_benchmark",
-    "BenchmarkGenerator",
-    "timeout_watcher",
     "qiskit_helper",
+    "timeout_watcher",
     "tket_helper",
     "utils",
-    "CompilerSettings",
-    "QiskitSettings",
-    "TKETSettings",
 ]

src/mqt/bench/benchmark_generator.py

@@ -332,7 +332,6 @@ def get_benchmark(
     Returns:
         Quantum Circuit Object representing the benchmark with the selected options, either as Qiskit::QuantumCircuit or Pytket::Circuit object (depending on the chosen compiler---while the algorithm level is always provided using Qiskit)
     """
-
     if "gate_set_name" in kwargs:
         msg = "gate_set_name is deprecated and will be removed in a future release. Use provider_name instead."
         warn(msg, DeprecationWarning, stacklevel=2)
@@ -466,18 +465,18 @@ def timeout_watcher(
     timeout: int,
     args: list[Any] | int | tuple[int, str] | str,
 ) -> bool | QuantumCircuit | Circuit:
-    class TimeoutException(Exception):  # Custom exception class
+    class TimeoutExceptionError(Exception):  # Custom exception class
         pass
 
-    def timeout_handler(_signum: Any, _frame: Any) -> None:  # Custom signal handler
-        raise TimeoutException
+    def timeout_handler(_signum: int, _frame: Any) -> None:  # noqa: ANN401
+        raise TimeoutExceptionError
 
     # Change the behavior of SIGALRM
     signal.signal(signal.SIGALRM, timeout_handler)
     signal.alarm(timeout)
     try:
         res = func(*args) if isinstance(args, tuple | list) else func(args)
-    except TimeoutException:
+    except TimeoutExceptionError:
         print(
             "Calculation/Generation exceeded timeout limit for ",
             func.__name__,

src/mqt/bench/benchmarks/__init__.py

@@ -11,12 +11,12 @@
 from mqt.bench.benchmarks.qiskit_application_optimization import routing, tsp
 
 __all__ = [
-    "pricingput",
-    "pricingcall",
+    "groundstate",
     "portfolioqaoa",
     "portfoliovqe",
-    "groundstate",
+    "pricingcall",
+    "pricingput",
+    "qnn",
     "routing",
     "tsp",
-    "qnn",
 ]

src/mqt/bench/benchmarks/ae.py

@@ -10,10 +10,9 @@
 def create_circuit(num_qubits: int) -> QuantumCircuit:
     """Returns a quantum circuit implementing Quantum Amplitude Estimation.
 
-    Keyword arguments:
+    Keyword Arguments:
     num_qubits -- number of qubits of the returned quantum circuit
     """
-
     ae = AmplitudeEstimation(
         num_eval_qubits=num_qubits - 1,  # -1 because of the to be estimated qubit
     )
@@ -38,6 +37,9 @@
     def __eq__(self, other: object) -> bool:
         return isinstance(other, BernoulliQ) and self._theta_p == other._theta_p
 
+    def __hash__(self) -> int:
+        return hash(self._theta_p)
+
     def power(self, power: float, _matrix_power: bool = True) -> QuantumCircuit:
         # implement the efficient power of Q
         q_k = QuantumCircuit(1)
@@ -47,7 +49,6 @@
 
 def get_estimation_problem() -> EstimationProblem:
     """Returns a estimation problem instance for a fixed p value."""
-
     p = 0.2
 
     """A circuit representing the Bernoulli A operator."""

src/mqt/bench/benchmarks/dj.py

@@ -9,12 +9,12 @@
 def dj_oracle(case: str, n: int) -> QuantumCircuit:
     # plus one output qubit
     oracle_qc = QuantumCircuit(n + 1)
+    rng = np.random.default_rng(10)
 
     if case == "balanced":
-        np.random.seed(10)
         b_str = ""
         for _ in range(n):
-            b = np.random.randint(0, 2)
+            b = rng.integers(0, 2)
             b_str = b_str + str(b)
 
         for qubit in range(len(b_str)):
@@ -29,7 +29,7 @@ def dj_oracle(case: str, n: int) -> QuantumCircuit:
                 oracle_qc.x(qubit)
 
     if case == "constant":
-        output = np.random.randint(2)
+        output = rng.integers(2)
         if output == 1:
             oracle_qc.x(n)
 
@@ -62,11 +62,10 @@ def dj_algorithm(oracle: QuantumCircuit, n: int) -> QuantumCircuit:
 def create_circuit(n: int, balanced: bool = True) -> QuantumCircuit:
     """Returns a quantum circuit implementing the Deutsch-Josza algorithm.
 
-    Keyword arguments:
+    Keyword Arguments:
     num_qubits -- number of qubits of the returned quantum circuit
     balanced -- True for a balanced and False for a constant oracle
     """
-
     oracle_mode = "balanced" if balanced else "constant"
     n = n - 1  # because of ancilla qubit
     oracle_gate = dj_oracle(oracle_mode, n)

src/mqt/bench/benchmarks/ghz.py

@@ -6,10 +6,9 @@
 def create_circuit(num_qubits: int) -> QuantumCircuit:
     """Returns a quantum circuit implementing the GHZ state.
 
-    Keyword arguments:
+    Keyword Arguments:
     num_qubits -- number of qubits of the returned quantum circuit
     """
-
     q = QuantumRegister(num_qubits, "q")
     qc = QuantumCircuit(q, name="ghz")
     qc.h(q[-1])

src/mqt/bench/benchmarks/graphstate.py

@@ -8,11 +8,10 @@
 def create_circuit(num_qubits: int, degree: int = 2) -> QuantumCircuit:
     """Returns a quantum circuit implementing a graph state.
 
-    Keyword arguments:
+    Keyword Arguments:
     num_qubits -- number of qubits of the returned quantum circuit
     degree -- number of edges per node
     """
-
     q = QuantumRegister(num_qubits, "q")
     qc = QuantumCircuit(q, name="graphstate")