✨ improve CI/CD and package itself (#322)

This PR
- improves the CI/CD workflows
- improves the mqt.bench package structure by moving mqt.benchviewer
into mqt.bench.viewer
- implements multiple small improvements revealed by the more
comprehensive tests

---------

Signed-off-by: burgholzer <burgholzer@me.com>
Co-authored-by: burgholzer <burgholzer@me.com>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

.github/codecov.yml

@@ -12,3 +12,6 @@ coverage:
     patch:
       default:
         threshold: 1%
+codecov:
+  notify:
+    after_n_builds: 8

.github/workflows/cd.yml

@@ -0,0 +1,60 @@
+name: CD
+on:
+  release:
+    types: [published]
+  workflow_dispatch:
+
+jobs:
+  python-packaging:
+    name: 🐍 Packaging
+    uses: cda-tum/mqt-core/.github/workflows/reusable-python-packaging.yml@v2.4.1
+    with:
+      pure-python: true
+
+  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.bench
+    permissions:
+      id-token: write
+    needs: [python-packaging]
+    steps:
+      - uses: actions/download-artifact@v4
+        with:
+          pattern: cibw-*
+          path: dist
+          merge-multiple: true
+      - uses: pypa/gh-action-pypi-publish@release/v1
+
+  upload_webserver:
+    if: github.event_name == 'release' && github.event.action == 'published'
+    name: 🚀 Deploy to Webserver
+    needs: deploy
+    runs-on: ubuntu-latest
+    env:
+      DEPLOY_KEY: ${{ secrets.DEPLOY_KEY }}
+      KNOWN_HOSTS: ${{ secrets.KNOWN_HOSTS }}
+      CDA_HOST_NAME: tueicda-cda.srv.mwn.de
+      CDA_USER_NAME: web-user
+      CDA_TARGET_DIR: /var/www/cda/app/mqtbench/
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - name: Create version file
+        run: |
+          echo "version = \"$(git describe --tags --always)\"" > mqtbench_version.txt
+      - name: Setup SSH via the stored Action Secrets
+        run: |
+          mkdir -p ~/.ssh
+          echo "${KNOWN_HOSTS}" >> ~/.ssh/known_hosts
+          echo "${DEPLOY_KEY}" > ~/.ssh/my_rsync_key
+          echo "IdentityFile ~/.ssh/my_rsync_key" >> ~/.ssh/config
+          chmod -R 700 ~/.ssh
+      - name: Copy version file to the webserver
+        working-directory: ${{ github.workspace }}
+        run: |
+          rsync -avz -e ssh mqtbench_version.txt ${CDA_USER_NAME}@${CDA_HOST_NAME}:${CDA_TARGET_DIR}/mqtbench_version.txt

.github/workflows/ci.yml

@@ -0,0 +1,54 @@
+name: CI
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+  merge_group:
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.head_ref || github.run_id }}
+  cancel-in-progress: true
+
+jobs:
+  change-detection:
+    name: 🔍 Change
+    uses: cda-tum/mqt-core/.github/workflows/reusable-change-detection.yml@v2.4.1
+
+  python-tests:
+    name: 🐍 Test
+    needs: change-detection
+    if: fromJSON(needs.change-detection.outputs.run-python-tests)
+    uses: cda-tum/mqt-core/.github/workflows/reusable-python-ci.yml@v2.4.1
+    secrets:
+      token: ${{ secrets.CODECOV_TOKEN }}
+
+  code-ql:
+    name: 📝 CodeQL
+    needs: change-detection
+    if: fromJSON(needs.change-detection.outputs.run-code-ql)
+    uses: cda-tum/mqt-core/.github/workflows/reusable-code-ql-python.yml@v2.4.1
+
+  required-checks-pass: # This job does nothing and is only used for branch protection
+    name: 🚦 Check
+    if: always()
+    needs:
+      - change-detection
+      - python-tests
+      - code-ql
+    runs-on: ubuntu-latest
+    steps:
+      - name: Decide whether the needed jobs succeeded or failed
+        uses: re-actors/alls-green@release/v1
+        with:
+          allowed-skips: >-
+            ${{
+              fromJSON(needs.change-detection.outputs.run-python-tests)
+              && '' || 'python-tests,'
+            }}
+            ${{
+              fromJSON(needs.change-detection.outputs.run-code-ql)
+              && '' || 'code-ql,'
+            }}
+          jobs: ${{ toJSON(needs) }}

.github/workflows/release-drafter.yml

@@ -22,4 +22,4 @@ jobs:
     steps:
       - uses: release-drafter/release-drafter@v6
         env:
-          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+          GITHUB_TOKEN: ${{ github.token }}

.pre-commit-config.yaml

@@ -54,7 +54,7 @@ repos:
     hooks:
       - id: codespell
         args: ["-L", "wille,linz,fro"]
-        exclude: "mqt/benchviewer/templates/legal.html"
+        exclude: "mqt/bench/viewer/templates/legal.html"
 
   # Format configuration files with prettier
   - repo: https://github.com/pre-commit/mirrors-prettier

README.md

@@ -16,6 +16,7 @@
 
 MQT Bench is a quantum circuit benchmark suite with cross-level support, i.e., providing the same benchmark algorithms for different abstraction levels throughout the quantum computing
 software stack.
+MQT Bench is part of the [_Munich Quantum Toolkit_ (_MQT_)](https://mqt.readthedocs.io) developed by the [Chair for Design Automation](https://www.cda.cit.tum.de/) at the [Technical University of Munich](https://www.tum.de/).
 
 <p align="center">
   <a href="https://mqt.readthedocs.io/projects/bench">
@@ -51,15 +52,6 @@ print(qc_algorithmic_level.draw())
 
 **Detailed documentation and examples are available at [ReadTheDocs](https://mqt.readthedocs.io/projects/bench).**
 
-# Repository Structure
-
-- src/mqt/: main source directory
-  - bench: Directory for the MQT Bench package
-  - bench/benchmarks: Directory for the benchmarks
-  - benchviewer: Directory for the webpage (which can be started locally and is also hosted at
-    [https://www.cda.cit.tum.de/mqtbench/](https://www.cda.cit.tum.de/mqtbench/))
-- tests: Directory for the tests for MQT Bench
-
 ## Acknowledgements
 
 The Munich Quantum Toolkit has been supported by the European