🎨 Support for Qiskit v1.0.0

.pre-commit-config.yaml

@@ -15,7 +15,7 @@ ci:
 repos:
   # Standard hooks
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: "v4.5.0"
+    rev: "v4.6.0"
     hooks:
       - id: check-added-large-files
       - id: check-case-conflict
@@ -30,11 +30,19 @@ repos:
 
   # Handling unwanted unicode characters
   - repo: https://github.com/sirosen/texthooks
-    rev: "0.6.4"
+    rev: "0.6.6"
     hooks:
       - 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"
@@ -45,8 +53,7 @@ repos:
     rev: "v2.2.6"
     hooks:
       - id: codespell
-        args: ["-L", "wille, linz, fro, braket"]
-        exclude: "mqt/benchviewer/templates/legal.html"
+        args: ["-L", "wille,linz,fro"]
 
   # Format configuration files with prettier
   - repo: https://github.com/pre-commit/mirrors-prettier
@@ -56,7 +63,7 @@ repos:
         types_or: [yaml, markdown, html, css, javascript, json]
 
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.3.2
+    rev: v0.3.7
     hooks:
       - id: ruff
         args: ["--fix", "--show-fixes"]
@@ -78,7 +85,7 @@ repos:
         files: ^(src|tests)
         args: []
         additional_dependencies:
-          - pytket-qiskit
+          - pytket_qiskit
           - qiskit_optimization
           - qiskit_nature
           - qiskit_finance
@@ -88,3 +95,19 @@ 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: (.joblib|.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/FigureOfMerit.rst

@@ -10,7 +10,7 @@ information needs to be collected, such as, e.g., gate/readout fidelities, gate
 decoherence times. While for some devices, this information may be publicly available, for other
 devices it may be estimated from comparable devices, previous records, or insider knowledge.
 
-So far, two figures of merit are implemented: `expected_fidelity` and `critical_depth`.
+So far, two figures of merit are implemented: ``expected_fidelity`` and ``critical_depth``.
 
 Expected Fidelity
 -----------------
@@ -27,10 +27,10 @@ with :math:`\mathit{\mathcal{F}}(g_i)` being the expected execution fidelity of
 :math:`\mathit{\mathcal{F}_{RO}}(q_j)` being the expected execution fidelity of a measurement operation :math:`q_j` on its corresponding qubit and :math:`|G|` respectively :math:`m` being the number of gates and measurements in the compiled circuit.
 
 
-This figure of merit determines an estimate of the probability that a quantum circuit will return the expected result, the so-called `expected fidelity`, which ranges between :math:`0.0` and :math:`1.0` with higher values being better.
+This figure of merit determines an estimate of the probability that a quantum circuit will return the expected result, the so-called ``expected fidelity``, which ranges between :math:`0.0` and :math:`1.0` with higher values being better.
 
 
 Critical Depth
 --------------
-A potential alternative could be the `critical depth` (taken from :cite:labelpar:`tomesh2022supermarq`)---a measure to describe the percentage of multi-qubit gates on the longest path through a compiled quantum circuit (determining the depth).
+A potential alternative could be the ``critical depth`` (taken from :cite:labelpar:`tomesh2022supermarq`)---a measure to describe the percentage of multi-qubit gates on the longest path through a compiled quantum circuit (determining the depth).
 A respective value close to 1 would indicate a very sequential circuit while a value of 0 would indicate a highly parallel one.

docs/Usage.rst

@@ -19,9 +19,9 @@ To compile a quantum circuit, use the ``qcompile`` method:
 .. automodule:: mqt.predictor
     :members: qcompile
 
-Currently available figures of merit are `expected_fidelity` and `critical_depth`.
+Currently available figures of merit are ``expected_fidelity`` and ``critical_depth``.
 
-An example how `qcompile` is used can be found in the :doc:`quickstart <Quickstart>` jupyter notebook.
+An example how ``qcompile`` is used can be found in the :doc:`quickstart <Quickstart>` jupyter notebook.
 
 .. _pip_usage:
 

evaluations/overall_evaluation.ipynb

@@ -59,27 +59,6 @@
     "print(np.round(MQT_critical_depth, 2))"
    ]
   },
-  {
-   "cell_type": "markdown",
-   "id": "bf93d18b-b61a-47ae-988c-590e25e2f203",
-   "metadata": {},
-   "source": [
-    "## Top 3 Bins"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "e649aff4-7fb8-457f-9ec8-c1cd97bbc4ea",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "def bins_labels(bins, **kwargs):\n",
-    "    bin_w = (max(bins) - min(bins)) / (len(bins) - 1)\n",
-    "    plt.xticks(np.arange(min(bins) + bin_w / 2, max(bins), bin_w), bins, **kwargs)\n",
-    "    plt.xlim(bins[0], bins[-1])"
-   ]
-  },
   {
    "cell_type": "markdown",
    "id": "7efb6e96-22c3-4739-b480-75d7b9a42785",
@@ -95,7 +74,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "def calculate_median(row, column_name):\n",
+    "def calculate_median(row: pd.core.series.Series, column_name: str) -> float:\n",
     "    columns = [col for col in row.index if col.endswith(column_name) and \"MQT\" not in col]\n",
     "    values = [value for col, value in row[columns].items() if value != -1]\n",
     "    return np.median(values) if values else None\n",
@@ -321,13 +300,11 @@
     "    axis=1,\n",
     ")\n",
     "df_filtered_and_sorted_expected_fidelity[\"Rank_MQT_expected_fidelity\"] = (\n",
-    "    len(\n",
-    "        [\n",
-    "            col\n",
-    "            for col in df_filtered_and_sorted_expected_fidelity.columns\n",
-    "            if col.endswith(\"_expected_fidelity\") and \"MQT\" not in col\n",
-    "        ]\n",
-    "    )\n",
+    "    len([\n",
+    "        col\n",
+    "        for col in df_filtered_and_sorted_expected_fidelity.columns\n",
+    "        if col.endswith(\"_expected_fidelity\") and \"MQT\" not in col\n",
+    "    ])\n",
     "    - df_filtered_and_sorted_expected_fidelity.Rank_MQT_expected_fidelity\n",
     ")\n",
     "plt.hist(\n",
@@ -509,13 +486,11 @@
     "    axis=1,\n",
     ")\n",
     "df_filtered_and_sorted_critical_depth[\"Rank_MQT_critical_depth\"] = (\n",
-    "    len(\n",
-    "        [\n",
-    "            col\n",
-    "            for col in df_filtered_and_sorted_critical_depth.columns\n",
-    "            if col.endswith(\"_critical_depth\") and \"MQT\" not in col\n",
-    "        ]\n",
-    "    )\n",
+    "    len([\n",
+    "        col\n",
+    "        for col in df_filtered_and_sorted_critical_depth.columns\n",
+    "        if col.endswith(\"_critical_depth\") and \"MQT\" not in col\n",
+    "    ])\n",
     "    - df_filtered_and_sorted_critical_depth.Rank_MQT_critical_depth\n",
     ")\n",
     "plt.hist(\n",

evaluations/supervised_ml_models/evaluation.ipynb

@@ -26,8 +26,6 @@
     "\n",
     "from mqt.predictor import ml\n",
     "\n",
-    "np.random.seed(10)\n",
-    "\n",
     "predictor = ml.Predictor()\n",
     "figure_of_merit = \"expected_fidelity\"\n",
     "\n",
@@ -162,13 +160,7 @@
     "\n",
     "openqasm_qc_list = ml.helper.get_openqasm_gates()\n",
     "feature_names = [openqasm_qc_list[i] for i in range(len(openqasm_qc_list))]\n",
-    "feature_names.append(\"num qubits\")\n",
-    "feature_names.append(\"depth\")\n",
-    "feature_names.append(\"prog. comm.\")\n",
-    "feature_names.append(\"crit. dept\")\n",
-    "feature_names.append(\"entang. ratio\")\n",
-    "feature_names.append(\"parallelism\")\n",
-    "feature_names.append(\"liveness\")\n",
+    "feature_names.extend((\"num qubits\", \"depth\", \"prog. comm.\", \"crit. dept\", \"entang. ratio\", \"parallelism\", \"liveness\"))\n",
     "feature_names = [feature_names[i] for i in non_zero_indices]\n",
     "\n",
     "importances = clf.best_estimator_.feature_importances_\n",

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)