🎉🐍 Initial mqt.core Python Package Configuration (#359)

## Description

This PR set up all the infrastructure for developing a modern `mqt.core`
Python package.
Instead of relying on `pybind11` and `setuptools` it uses
[scikit-build-core](https://github.com/scikit-build/scikit-build-core)
and [nanobind](https://github.com/wjakob/nanobind) to create a C++
extension module and package everything as a complete Python package.

This is a substantial improvement over all previous efforts that relied
on setuptools. For example, the new setup allows for fast, editable
installs where the Python package is automatically rebuilt on C++ source
code changes.
Furthermore, `nanobind` is directly included as a build time dependency
and need not be included as a git submodule.
Finally, all the nasty configuration from the `setup.py` file could be
removed. In fact, there no longer is a `setup.py` file at all.

As for `nanobind` over `pybind11`: (from
https://github.com/wjakob/nanobind)

> nanobind is a small binding library that exposes C++ types in Python
and vice versa. It is reminiscent of
[Boost.Python](https://www.boost.org/doc/libs/1_64_0/libs/python/doc/html)
and [pybind11](https://github.com/pybind/pybind11) and uses
near-identical syntax. In contrast to these existing tools, nanobind is
more efficient: bindings compile in a shorter amount of time, produce
smaller binaries, and have better runtime performance.
>
> More concretely,
[benchmarks](https://nanobind.readthedocs.io/en/latest/benchmark.html)
show up to ~4× faster compile time, ~5× smaller binaries, and ~10× lower
runtime overheads compared to pybind11. nanobind also outperforms Cython
in important metrics (3-12× binary size reduction, 1.6-4× compilation
time reduction, similar runtime performance).

Another nice feature available after this PR is the addition of CI check
gates, that is, a check that makes sure that all checks it depends on
have succeeded. This significantly simplifies branch protection rules as
there are only very few checks that actually need protection and the
rules need not be updated whenever, e.g., a new matrix entry gets added
to the CI config.

> **Note**
> The Python package itself is extremely limited at the moment and does
not expose any useful functionality. That will be added in a subsequent
PR.

## Checklist:

<!---
This checklist serves as a reminder of a couple of things that ensure
your pull request will be merged swiftly.
-->

- [x] The pull request only contains commits that are related to it.
- [x] I have added appropriate tests and documentation.
- [x] I have made sure that all CI jobs on GitHub pass.
- [x] The pull request introduces no new warnings and follows the
project's style guidelines.

Author: burgholzer

.github/SECURITY.md

@@ -7,13 +7,13 @@ Security updates are applied only to the most recent releases.
 ## Reporting a Vulnerability
 
 To report vulnerabilities, you can privately report a potential security issue
-via the Github security vulnerabilities feature. This can be done here:
+via the GitHub security vulnerabilities feature. This can be done here:
 
 https://github.com/cda-tum/mqt-core/security/advisories
 
 Please do **not** open a public issue about a potential security vulnerability.
 
-You can find more details on the security vulnerability feature in the Github
+You can find more details on the security vulnerability feature in the GitHub
 documentation here:
 
 https://docs.github.com/en/code-security/security-advisories/guidance-on-reporting-and-writing/privately-reporting-a-security-vulnerability

.github/codecov.yml

@@ -1,5 +1,7 @@
 ignore:
   - "extern/**/*"
+  - "include/python/**/*"
+  - "src/python/**/*"
   - "test/**/*"
 
 coverage:
@@ -18,3 +20,7 @@ parsers:
     branch_detection:
       conditional: no
       loop: no
+
+codecov:
+  notify:
+    after_n_builds: 3

.github/matchers/pylint.json

@@ -0,0 +1,32 @@
+{
+  "problemMatcher": [
+    {
+      "severity": "warning",
+      "pattern": [
+        {
+          "regexp": "^([^:]+):(\\d+):(\\d+): ([A-DF-Z]\\d+): \\033\\[[\\d;]+m([^\\033]+).*$",
+          "file": 1,
+          "line": 2,
+          "column": 3,
+          "code": 4,
+          "message": 5
+        }
+      ],
+      "owner": "pylint-warning"
+    },
+    {
+      "severity": "error",
+      "pattern": [
+        {
+          "regexp": "^([^:]+):(\\d+):(\\d+): (E\\d+): \\033\\[[\\d;]+m([^\\033]+).*$",
+          "file": 1,
+          "line": 2,
+          "column": 3,
+          "code": 4,
+          "message": 5
+        }
+      ],
+      "owner": "pylint-error"
+    }
+  ]
+}

.github/workflows/ci.yml

@@ -1,9 +1,10 @@
-name: CI
+name: 🇨‌➕➕ • CI
 
 on:
   push:
     branches: [main]
   pull_request:
+  merge_group:
   workflow_dispatch:
 
 concurrency:
@@ -17,46 +18,50 @@ defaults:
 env:
   CMAKE_BUILD_PARALLEL_LEVEL: 3
   CTEST_PARALLEL_LEVEL: 3
+  FORCE_COLOR: 3
 
 jobs:
   cpp-tests:
-    name: Tests ${{ matrix.config.os }}
-    runs-on: ${{ matrix.config.os }}
+    name: Tests • ${{ matrix.runs-on }}
+    runs-on: ${{ matrix.runs-on }}
     strategy:
       fail-fast: false
       matrix:
-        config:
-          - { os: ubuntu-latest, toolchain: "" }
-          - { os: macos-latest, toolchain: "" }
-          - { os: windows-latest, toolchain: "-T ClangCl" }
+        runs-on: [ubuntu-latest, macos-latest, windows-latest]
     steps:
       - uses: actions/checkout@v3
         with:
           submodules: recursive
       - name: Setup ccache
-        uses: hendrikmuhs/ccache-action@v1.2
+        uses: Chocobo1/setup-ccache-action@v1
         with:
-          key: "${{matrix.config.os}}"
+          prepend_symlinks_to_path: false
+          windows_compile_environment: msvc
+          override_cache_key: c++-tests-${{ matrix.runs-on }}
       - name: Set up mold as linker (Linux only)
         uses: rui314/setup-mold@v1
+      - name: Install Ninja
+        if: runner.os != 'Windows'
+        run: pipx install ninja
       - name: Configure CMake
-        run: cmake -S . -B build -DCMAKE_BUILD_TYPE=Release ${{ matrix.config.toolchain }} -DENABLE_IPO=ON
+        run: cmake -G Ninja -S . -B build -DCMAKE_BUILD_TYPE=Release
       - name: Build
         run: cmake --build build --config Release
       - name: Test
         run: ctest -C Release --output-on-failure --test-dir build --repeat until-pass:3 --timeout 300
 
   coverage:
-    name: C++ Coverage
+    name: Coverage • ubuntu-latest
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v3
         with:
           submodules: recursive
       - name: Setup ccache
-        uses: hendrikmuhs/ccache-action@v1.2
+        uses: Chocobo1/setup-ccache-action@v1
         with:
-          key: "coverage"
+          prepend_symlinks_to_path: false
+          override_cache_key: c++-coverage
       - name: Set up mold as linker
         uses: rui314/setup-mold@v1
       - name: Configure CMake
@@ -66,9 +71,22 @@ jobs:
       - name: Test
         run: ctest -C Debug --output-on-failure --test-dir build --repeat until-pass:3 --timeout 300
       - name: Upload coverage to Codecov
-        uses: codecov/codecov-action@v3.1.4
+        uses: codecov/codecov-action@v3
         with:
           fail_ci_if_error: true
           gcov: true
           gcov_ignore: "extern/**/*"
           token: ${{ secrets.CODECOV_TOKEN }}
+
+  cpp-ci-check:
+    if: always()
+    name: 🚦 Check
+    needs: [cpp-tests, coverage]
+    runs-on: ubuntu-latest
+    timeout-minutes: 1
+    steps:
+      - name: Decide whether the needed jobs succeeded or failed
+        uses: re-actors/alls-green@release/v1
+        with:
+          allowed-skips: deploy
+          jobs: ${{ toJSON(needs) }}

.github/workflows/codeql-analysis.yml

@@ -1,8 +1,35 @@
-name: "CodeQL"
+name: 📝 • CodeQL
 
 on:
   push:
+    branches: [main, protected]
+    paths-ignore:
+      - "docs/**"
+      - "**/*.md"
+      - "**/*.rst"
+      - "**/*.toml"
+      - "**/*.txt"
+      - "**/*.yml"
+      - "**/*.yaml"
+      - ".github/**"
+      - ".clang-format"
+      - ".clang-tidy"
+      - ".gitignore"
   pull_request:
+    branches: [main]
+    paths-ignore:
+      - "docs/**"
+      - "**/*.md"
+      - "**/*.rst"
+      - "**/*.toml"
+      - "**/*.txt"
+      - "**/*.yml"
+      - "**/*.yaml"
+      - ".github/**"
+      - ".clang-format"
+      - ".clang-tidy"
+      - ".gitignore"
+  merge_group:
   schedule:
     - cron: "15 21 * * 6"
 
@@ -12,18 +39,19 @@ concurrency:
 
 env:
   CMAKE_BUILD_PARALLEL_LEVEL: 3
+  FORCE_COLOR: 3
 
 jobs:
   analyze:
-    name: Analyze ${{ matrix.language }}
+    name: ${{ matrix.language }}
     runs-on: ubuntu-latest
     permissions:
       security-events: write
 
     strategy:
       fail-fast: false
       matrix:
-        language: ["cpp"]
+        language: ["cpp", "python"]
 
     steps:
       - name: Checkout repository
@@ -33,23 +61,40 @@ jobs:
           fetch-depth: 0
 
       - name: Setup ccache
-        uses: hendrikmuhs/ccache-action@v1.2
+        uses: Chocobo1/setup-ccache-action@v1
         with:
-          key: "CodeQL-${{ matrix.language }}"
+          prepend_symlinks_to_path: false
+          override_cache_key: codeql-${{ matrix.language }}
 
       - name: Set up mold as linker
         uses: rui314/setup-mold@v1
 
+      - if: matrix.language == 'python'
+        name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: "3.11"
+          cache: "pip"
+
+      - if: matrix.language == 'python'
+        name: Install dependencies
+        run: |
+          python -m pip install --upgrade pip wheel
+          pip install nanobind scikit-build-core[pyproject] setuptools_scm
+          pip install --no-build-isolation -ve .
+          echo "CODEQL_PYTHON=$(which python)" >> $GITHUB_ENV
+
       # Initializes the CodeQL tools for scanning.
       - name: Initialize CodeQL
         uses: github/codeql-action/init@v2
         with:
           languages: ${{ matrix.language }}
           config-file: .github/codeql-config.yml
+          setup-python-dependencies: false
 
       - if: matrix.language == 'cpp'
         name: Configure CMake
-        run: cmake -S . -B build -DCMAKE_BUILD_TYPE=Release
+        run: cmake -S . -B build -DCMAKE_BUILD_TYPE=Debug
 
       - if: matrix.language == 'cpp'
         name: Build

.github/workflows/cpp-linter.yml

@@ -1,10 +1,25 @@
-name: cpp-linter
+name: 🇨‌➕➕ • Lint
 
 on:
+  merge_group:
   pull_request:
+    paths:
+      - "**/*.cpp"
+      - "**/*.hpp"
+      - ".github/workflows/cpp-linter.yml"
+      - ".clang-tidy"
+      - "!include/python/**"
+      - "!src/python/**"
   push:
     branches:
       - main
+    paths:
+      - "**/*.cpp"
+      - "**/*.hpp"
+      - ".github/workflows/cpp-linter.yml"
+      - ".clang-tidy"
+      - "!include/python/**"
+      - "!src/python/**"
   workflow_dispatch:
 
 concurrency:
@@ -17,6 +32,7 @@ env:
 jobs:
   cpp-linter:
     runs-on: ubuntu-latest
+    name: Run
     steps:
       - uses: actions/checkout@v3
         with:
@@ -49,8 +65,8 @@ jobs:
         with:
           style: ""
           tidy-checks: ""
-          version: 16
-          ignore: build
+          version: ${{ env.clang-version }}
+          ignore: "build|include/python|src/python"
           thread-comments: true
           step-summary: true
           database: "build"

.github/workflows/emulated-wheels.yml

@@ -0,0 +1,53 @@
+name: 🐍 • Emulated Wheels
+
+on:
+  release:
+    types: [published]
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.head_ref || github.run_id }}
+  cancel-in-progress: true
+
+jobs:
+  build_wheels_emulation:
+    name: ${{ matrix.arch }} • ${{ matrix.python }}
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        arch: ["s390x", "ppc64le"]
+        python: ["cp38", "cp39", "cp310", "cp311", "cp312"]
+    steps:
+      - uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
+          submodules: recursive
+      - name: Set up QEMU
+        uses: docker/setup-qemu-action@v2
+      - name: Build wheels
+        uses: pypa/[email protected]
+        env:
+          CIBW_ARCHS_LINUX: ${{ matrix.arch }}
+          CIBW_BUILD: ${{ matrix.python }}-*
+          CIBW_TEST_SKIP: "cp*"
+      - uses: actions/upload-artifact@v3
+        with:
+          path: ./wheelhouse/*.whl
+# TODO: Uncomment this in a subsequent PR after one release has been made
+#  deploy:
+#    if: github.event_name == 'release' && github.event.action == 'published'
+#    name: 🚀 Deploy to PyPI
+#    runs-on: ubuntu-latest
+#    environment:
+#      name: pypi
+#      url: https://pypi.org/p/mqt.core
+#    permissions:
+#      id-token: write
+#    needs: [build_wheels_emulation]
+#    steps:
+#      - uses: actions/download-artifact@v3
+#        with:
+#          name: artifact
+#          path: dist
+#      - uses: pypa/gh-action-pypi-publish@release/v1