✨ switch to mqt-core Python package

.clang-tidy

@@ -1,7 +1,6 @@
 FormatStyle: file
 
 Checks: |
-  boost-*,
   bugprone-*,
   -bugprone-easily-swappable-parameters,
   -bugprone-unchecked-optional-access,
@@ -13,6 +12,8 @@ Checks: |
   -cppcoreguidelines-special-member-functions,
   -cppcoreguidelines-avoid-magic-numbers,
   -cppcoreguidelines-macro-usage,
+  -cppcoreguidelines-pro-type-reinterpret-cast,
+  -cppcoreguidelines-pro-bounds-constant-array-index,
   -cppcoreguidelines-avoid-do-while,
   google-*,
   -google-readability-todo,
@@ -23,6 +24,7 @@ Checks: |
   modernize-*,
   -modernize-use-trailing-return-type,
   performance-*,
+  -performance-no-int-to-ptr,
   portability-*,
   readability-*,
   -readability-identifier-length,
@@ -72,3 +74,5 @@ CheckOptions:
     value: CamelCase
   - key: readability-identifier-naming.VariableCase
     value: camelBack
+  - key: misc-include-cleaner.IgnoreHeaders
+    value: pybind11/detail/.*

.github/renovate.json5

@@ -8,7 +8,7 @@
   },
   lockFileMaintenance: {
     "enabled": true,
-    // "automerge": true, disabled due to endless update loops caused by setuptools_scm
+    "automerge": true,
   },
   configMigration: true,
   labels: ["dependencies"],
@@ -30,9 +30,16 @@
       commitMessagePrefix: "⬆\uFE0F\uD83E\uDE9D",
     },
     {
-      "description": "Automerge patch updates",
-      "matchUpdateTypes": ["patch"],
-      "automerge": true
+      description: "Automerge patch updates",
+      matchUpdateTypes: ["patch"],
+      automerge: true
+    },
+    {
+      description: "Automerge minor updates for stable dependencies",
+      matchManagers: ["pep621", "pre-commit"],
+      matchUpdateTypes: ["minor", "patch"],
+      matchCurrentVersion: "!/^0/",
+      automerge: true
     }
   ]
 }

.github/workflows/cd.yml

@@ -1,7 +1,5 @@
-name: CD
+name: CD 🚀
 on:
-  push:
-    branches: [main]
   release:
     types: [published]
   workflow_dispatch:
@@ -13,36 +11,11 @@ permissions:
 
 jobs:
   # Builds the sdist and wheels on all supported platforms and uploads the resulting
-  # wheels as GitHub artifacts `dev-cibw-*`, `test-cibw-*`, or `cibw-*`, depending on
-  # whether the workflow is triggered from a PR, a push to main, or a release, respectively.
+  # wheels as GitHub artifacts `dev-cibw-*` or `cibw-*`, depending on whether the
+  # workflow is triggered from a PR or a release, respectively.
   python-packaging:
     name: 🐍 Packaging
-    uses: cda-tum/mqt-workflows/.github/workflows/reusable-python-packaging.yml@v1.5
-    with:
-      # Do not include local version information on pushes to main to facilitate TestPyPI uploads.
-      no-local-version: ${{ github.ref == 'refs/heads/main' && github.event_name == 'push' }}
-      # Do not build emulated wheels on pushes to main to reduce runner load for CD.
-      build-emulated-wheels: ${{ github.ref != 'refs/heads/main' || github.event_name != 'push' }}
-
-  # Downloads the previously generated artifacts and deploys to TestPyPI on pushes to main
-  deploy-test-pypi:
-    name: 🚀 Deploy to Test PyPI
-    runs-on: ubuntu-latest
-    environment:
-      name: test-pypi
-      url: https://test.pypi.org/p/mqt.ddsim
-    needs: [python-packaging]
-    if: github.ref == 'refs/heads/main' && github.event_name == 'push'
-    steps:
-      - uses: actions/download-artifact@v4
-        with:
-          pattern: test-cibw-*
-          path: dist
-          merge-multiple: true
-      - uses: pypa/gh-action-pypi-publish@release/v1
-        with:
-          repository-url: https://test.pypi.org/legacy/
-          attestations: true
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-python-packaging.yml@v1.7
 
   # Downloads the previously generated artifacts and deploys to PyPI on published releases.
   deploy:
@@ -64,5 +37,3 @@ jobs:
         with:
           subject-path: "dist/*"
       - uses: pypa/gh-action-pypi-publish@release/v1
-        with:
-          attestations: true

.github/workflows/ci.yml

@@ -14,59 +14,190 @@ concurrency:
 jobs:
   change-detection:
     name: 🔍 Change
-    uses: cda-tum/mqt-workflows/.github/workflows/reusable-change-detection.yml@v1.5
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-change-detection.yml@v1.7
 
   cpp-tests:
     name: 🇨‌ Test
     needs: change-detection
     if: fromJSON(needs.change-detection.outputs.run-cpp-tests)
-    uses: cda-tum/mqt-workflows/.github/workflows/reusable-cpp-ci.yml@v1.5
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-cpp-ci.yml@v1.7
+    with:
+      # Runs to enable
+      enable-ubuntu2404-gcc-release: true
+      enable-ubuntu2404-arm-gcc-release: true
+      enable-macos13-clang-release: true
+      enable-macos14-clang-release: true
+      enable-windows2022-msvc-release: true
+      # Runs to disable
+      enable-ubuntu2404-gcc-debug: false
+      enable-ubuntu2404-clang-release: false
+      enable-ubuntu2404-clang-debug: false
+      enable-ubuntu2204-gcc-release: false
+      enable-ubuntu2204-gcc-debug: false
+      enable-ubuntu2204-clang-release: false
+      enable-ubuntu2204-clang-debug: false
+      enable-ubuntu2404-arm-gcc-debug: false
+      enable-ubuntu2404-arm-clang-release: false
+      enable-ubuntu2404-arm-clang-debug: false
+      enable-ubuntu2204-arm-gcc-release: false
+      enable-ubuntu2204-arm-gcc-debug: false
+      enable-ubuntu2204-arm-clang-release: false
+      enable-ubuntu2204-arm-clang-debug: false
+      enable-macos13-clang-debug: false
+      enable-macos13-gcc-release: false
+      enable-macos13-gcc-debug: false
+      enable-macos14-clang-debug: false
+      enable-macos14-gcc-release: false
+      enable-macos14-gcc-debug: false
+      enable-macos15-clang-release: false
+      enable-macos15-clang-debug: false
+      enable-macos15-gcc-release: false
+      enable-macos15-gcc-debug: false
+      enable-windows2022-msvc-debug: false
+      enable-windows2022-clang-release: false
+      enable-windows2022-clang-debug: false
+      enable-windows2025-msvc-release: false
+      enable-windows2025-msvc-debug: false
+      enable-windows2025-clang-release: false
+      enable-windows2025-clang-debug: false
+
+  # run extensive C++ tests whenever this is on a PR and the PR has the `extensive-cpp-ci` label
+  cpp-tests-extensive:
+    name: 🇨‌ Test (Extensive)
+    needs: change-detection
+    if: fromJSON(needs.change-detection.outputs.run-cpp-tests) && github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'extensive-cpp-ci')
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-cpp-ci.yml@v1.7
+    with:
+      # Runs to enable
+      enable-ubuntu2404-gcc-debug: true
+      enable-ubuntu2404-clang-release: true
+      enable-ubuntu2404-clang-debug: true
+      enable-ubuntu2204-gcc-release: true
+      enable-ubuntu2204-gcc-debug: true
+      enable-ubuntu2204-clang-release: true
+      enable-ubuntu2204-clang-debug: true
+      enable-ubuntu2404-arm-gcc-debug: true
+      enable-ubuntu2404-arm-clang-release: true
+      enable-ubuntu2404-arm-clang-debug: true
+      enable-ubuntu2204-arm-gcc-release: true
+      enable-ubuntu2204-arm-gcc-debug: true
+      enable-ubuntu2204-arm-clang-release: true
+      enable-ubuntu2204-arm-clang-debug: true
+      enable-macos13-clang-debug: true
+      enable-macos13-gcc-release: true
+      enable-macos13-gcc-debug: true
+      enable-macos14-clang-debug: true
+      enable-macos14-gcc-release: true
+      enable-macos14-gcc-debug: true
+      enable-macos15-clang-release: true
+      enable-macos15-clang-debug: true
+      enable-macos15-gcc-release: true
+      enable-macos15-gcc-debug: true
+      enable-windows2022-msvc-debug: true
+      enable-windows2022-clang-release: true
+      enable-windows2022-clang-debug: true
+      enable-windows2025-msvc-release: true
+      enable-windows2025-msvc-debug: true
+      enable-windows2025-clang-release: true
+      enable-windows2025-clang-debug: true
+      # Runs to disable (these are already enabled in the non-extensive run)
+      enable-ubuntu2404-gcc-release: false
+      enable-ubuntu2404-arm-gcc-release: false
+      enable-macos13-clang-release: false
+      enable-macos14-clang-release: false
+      enable-windows2022-msvc-release: false
+
+  cpp-coverage:
+    name: 🇨‌ Coverage
+    needs: change-detection
+    if: fromJSON(needs.change-detection.outputs.run-cpp-tests)
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-cpp-coverage.yml@v1.7
     # Explicitly set permissions so that the workflows also work from forks.
     permissions:
       contents: read # Required for the `actions/checkout` action
       id-token: write # Required for the `codecov/codecov-action` action
-    with:
-      cmake-args: ""
-      cmake-args-ubuntu: -G Ninja
-      cmake-args-macos: -G Ninja
-      cmake-args-windows: -T ClangCL
 
   cpp-linter:
     name: 🇨‌ Lint
     needs: change-detection
     if: fromJSON(needs.change-detection.outputs.run-cpp-linter)
-    uses: cda-tum/mqt-workflows/.github/workflows/reusable-cpp-linter.yml@v1.5
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-cpp-linter.yml@v1.7
 
+  # run extensive Python tests whenever this is on a PR and the PR has the `extensive-python-ci` label
   python-tests:
     name: 🐍 Test
     needs: change-detection
     if: fromJSON(needs.change-detection.outputs.run-python-tests)
-    uses: cda-tum/mqt-workflows/.github/workflows/reusable-python-ci.yml@v1.5
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-python-ci.yml@v1.7
     # Explicitly set permissions so that the workflows also work from forks.
     permissions:
       contents: read # Required for the `actions/checkout` action
       id-token: write # Required for the `codecov/codecov-action` action
+    with:
+      # Runs to enable
+      enable-ubuntu2404: true
+      enable-ubuntu2404-arm: true
+      enable-macos13: true
+      enable-macos14: true
+      enable-windows2022: true
+      # Runs to disable
+      enable-ubuntu2204: false
+      enable-ubuntu2204-arm: false
+      enable-macos15: false
+      enable-windows2025: false
+
+  python-tests-extensive:
+    name: 🐍 Test (Extensive)
+    needs: change-detection
+    if: fromJSON(needs.change-detection.outputs.run-python-tests) && github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'extensive-python-ci')
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-python-ci.yml@v1.7
+    # Explicitly set permissions so that the workflows also work from forks.
+    permissions:
+      contents: read # Required for the `actions/checkout` action
+      id-token: write # Required for the `codecov/codecov-action` action
+    with:
+      # Runs to enable
+      enable-ubuntu2204: true
+      enable-ubuntu2204-arm: true
+      enable-macos15: true
+      enable-windows2025: true
+      # Runs to disable (these are already enabled in the non-extensive run)
+      enable-ubuntu2404: false
+      enable-ubuntu2404-arm: false
+      enable-macos13: false
+      enable-macos14: false
+      enable-windows2022: false
+
+  python-linter:
+    name: 🐍 Lint
+    needs: change-detection
+    if: fromJSON(needs.change-detection.outputs.run-python-tests)
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-python-linter.yml@v1.7
 
   code-ql:
     name: 📝 CodeQL
     needs: change-detection
     if: fromJSON(needs.change-detection.outputs.run-code-ql)
-    uses: cda-tum/mqt-workflows/.github/workflows/reusable-code-ql.yml@v1.5
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-code-ql.yml@v1.7
 
   cd:
     name: 🚀 CD
     needs: change-detection
     if: fromJSON(needs.change-detection.outputs.run-cd)
-    uses: cda-tum/mqt-workflows/.github/workflows/reusable-python-packaging.yml@v1.5
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-python-packaging.yml@v1.7
 
   required-checks-pass: # This job does nothing and is only used for branch protection
     name: 🚦 Check
     if: always()
     needs:
       - change-detection
       - cpp-tests
+      - cpp-tests-extensive
+      - cpp-coverage
       - cpp-linter
       - python-tests
+      - python-tests-extensive
+      - python-linter
       - code-ql
       - cd
     runs-on: ubuntu-latest
@@ -79,6 +210,14 @@ jobs:
               fromJSON(needs.change-detection.outputs.run-cpp-tests)
               && '' || 'cpp-tests,'
             }}
+            ${{
+              fromJSON(needs.change-detection.outputs.run-cpp-tests) && github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'extensive-cpp-ci')
+              && '' || 'cpp-tests-extensive,'
+            }}
+            ${{
+              fromJSON(needs.change-detection.outputs.run-cpp-tests)
+              && '' || 'cpp-coverage,'
+            }}
             ${{
               fromJSON(needs.change-detection.outputs.run-cpp-linter)
               && '' || 'cpp-linter,'
@@ -87,6 +226,14 @@ jobs:
               fromJSON(needs.change-detection.outputs.run-python-tests)
               && '' || 'python-tests,'
             }}
+            ${{
+              fromJSON(needs.change-detection.outputs.run-python-tests) && github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'extensive-python-ci')
+              && '' || 'python-tests-extensive,'
+            }}
+            ${{
+              fromJSON(needs.change-detection.outputs.run-python-tests)
+              && '' || 'python-linter,'
+            }}
             ${{
               fromJSON(needs.change-detection.outputs.run-code-ql)
               && '' || 'code-ql,'

.github/workflows/update-mqt-core.yml

@@ -21,6 +21,6 @@ concurrency:
 jobs:
   update-mqt-core:
     name: ⬆️ Update MQT Core
-    uses: cda-tum/mqt-workflows/.github/workflows/reusable-mqt-core-update.yml@v1.5
+    uses: cda-tum/mqt-workflows/.github/workflows/reusable-mqt-core-update.yml@v1.7
     with:
       update-to-head: ${{ github.event.inputs.update-to-head == 'true' }}

.pre-commit-config.yaml

@@ -88,7 +88,7 @@ repos:
 
   # Format configuration files with prettier
   - repo: https://github.com/rbubley/mirrors-prettier
-    rev: v3.5.2
+    rev: v3.5.3
     hooks:
       - id: prettier
         types_or: [yaml, markdown, html, css, scss, javascript, json]
@@ -103,10 +103,11 @@ repos:
           - nox
           - numpy
           - pytest
+          - mqt.core>=3.0.0b5
 
   # Check for spelling
   - repo: https://github.com/crate-ci/typos
-    rev: v1.30.0
+    rev: v1.30.1
     hooks:
       - id: typos
 
@@ -121,7 +122,7 @@ repos:
 
   # Check best practices for scientific Python code
   - repo: https://github.com/scientific-python/cookie
-    rev: 2024.08.19
+    rev: 2025.01.22
     hooks:
       - id: sp-repo-review
         additional_dependencies: ["repo-review[cli]"]
@@ -136,6 +137,6 @@ repos:
 
   # Check the pyproject.toml file
   - repo: https://github.com/henryiii/validate-pyproject-schema-store
-    rev: 2024.11.25
+    rev: 2025.02.24
     hooks:
       - id: validate-pyproject