📦 Proper Packaging (#115)

* 📦 removed init file and adjusted setup.py

* 🎨 pre-commit fixes

* 🔖 use setuptools-scm for versioning

* 🔧 add `fetch-depth: 0` to checkout for versioning

* 🔧 move to PEP 621 project metadata specification

* 🔧 add coverage extra

* 🔧 add `fetch-depth: 0` to coverage job

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Lukas Burgholzer <lukas.burgholzer@jku.at>

.github/workflows/coverage.yml

@@ -12,16 +12,16 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
       - name: Setup Python
         uses: actions/setup-python@v4
         with:
           python-version: "3.8"
       - name: Install MQT Bench
-        run: pip install -e .
+        run: pip install -e .[coverage]
       - name: Generate Report
-        run: |
-          pip install pytest-cov
-          pytest -v --cov=./ --cov-report=xml
+        run: pytest -v --cov=./ --cov-report=xml
       - name: Upload coverage to Codecov
         uses: codecov/codecov-action@v3
         with:

.github/workflows/deploy.yml

@@ -15,6 +15,8 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
       - uses: actions/setup-python@v4
         with:
           python-version: "3.8"
@@ -36,6 +38,8 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
       - uses: actions/setup-python@v4
         with:
           python-version: "3.8"

pyproject.toml

@@ -1,16 +1,73 @@
 [build-system]
-# Minimum requirements for the build system to execute.
-requires = ["setuptools>=45"]  # PEP 508 specifications.
+requires = [
+    "setuptools>=61",
+    "setuptools_scm[toml]>=6.4",
+]
 build-backend = "setuptools.build_meta"
 
-[tool.cibuildwheel]
-build = "cp3*"
-archs = "auto64"
-test-command = "python -c \"from mqt import bench\""
-build-verbosity = 3
+[project]
+name = "mqt.bench"
+description = "MQT Bench - A MQT tool for Benchmarking Quantum Software Tools"
+readme = "README.md"
+authors = [
+    { name = "Nils Quetschlich", email = "nils.quetschlich@tum.de" },
+    { name = "Lukas Burgholzer", email = "lukas.burgholzer@jku.at"},
+]
+keywords = ["MQT",  "quantum computing", "benchmarking", "performance", "testing"]
+license = { file = "LICENSE" }
+requires-python = ">=3.8"
+dynamic = ["version"]
 
-[tool.cibuildwheel.linux]
+dependencies = [
+    "qiskit==0.36.0",
+    "pytket==1.2.2",
+    "pytket-qiskit==0.25.0",
+    "pandas==1.3.5",
+    "flask==2.2.2",
+    "networkx==2.8.6",
+    "pytest==7.1.3",
+    "qiskit_finance==0.3.4",
+    "qiskit_machine-learning==0.4.0",
+    "qiskit-nature[pyscf]==0.3.1",
+    "qiskit_optimization==0.3.2",
+    "packaging==21.3",
+    "tqdm==4.64.1",
+    "importlib_metadata>=3.6; python_version < '3.10'",
+    "importlib_resources>=5.9; python_version < '3.10'",
+]
 
-[tool.cibuildwheel.macos]
+classifiers = [
+    "Development Status :: 4 - Beta",
+    "Intended Audience :: Developers",
+    "License :: OSI Approved :: MIT License",
+    "Operating System :: Microsoft :: Windows",
+    "Operating System :: MacOS",
+    "Operating System :: POSIX :: Linux",
+    "Programming Language :: Python :: 3 :: Only",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Intended Audience :: Science/Research",
+    "Natural Language :: English",
+    "Topic :: Scientific/Engineering :: Electronic Design Automation (EDA)",
+]
 
-[tool.cibuildwheel.windows]
+[project.optional-dependencies]
+test = ["pytest>=7"]
+coverage = ["mqt.bench[test]", "coverage[toml]~=6.5.0", "pytest-cov~=4.0.0"]
+dev = ["mqt.bench[coverage]"]
+
+[project.scripts]
+"mqt.bench" = "mqt.benchviewer.main:start_server"
+
+[project.urls]
+Homepage = "https://github.com/cda-tum/mqtbench"
+"Bug Tracker" = "https://github.com/cda-tum/mqtbench/issues"
+Discussions = "https://github.com/cda-tum/mqtbench/discussions"
+Research = "https://www.cda.cit.tum.de/research/quantum/"
+
+[tool.setuptools.packages.find]
+include = ["mqt.*"]
+
+[tool.setuptools_scm]

setup.py

@@ -1,68 +1,3 @@
-import os
-
 from setuptools import setup
 
-README_PATH = os.path.join(os.path.abspath(os.path.dirname(__file__)), "README.md")
-with open(README_PATH) as readme_file:
-    README = readme_file.read()
-
-setup(
-    name="mqt.bench",
-    packages=[
-        "mqt.benchviewer",
-        "mqt.benchviewer.src",
-        "mqt.benchviewer.src.tests",
-        "mqt.benchviewer.templates",
-        "mqt.bench",
-        "mqt.bench.utils",
-        "mqt.bench.tests",
-        "mqt.bench.benchmarks",
-        "mqt.bench.benchmarks.qiskit_application_finance",
-        "mqt.bench.benchmarks.qiskit_application_ml",
-        "mqt.bench.benchmarks.qiskit_application_optimization",
-        "mqt.bench.benchmarks.qiskit_application_nature",
-    ],
-    version="0.1.3",
-    python_requires=">=3.8",
-    license="MIT",
-    description="MQT Bench - A MQT tool for Benchmarking Quantum Software Tools",
-    long_description=README,
-    long_description_content_type="text/markdown",
-    author="Nils Quetschlich",
-    author_email="nils.quetschlich@tum.de",
-    url="https://github.com/cda-tum/mqtbench",
-    keywords="mqt quantum benchmarking performance testing",
-    entry_points={
-        "console_scripts": ["mqt.bench=mqt.benchviewer.main:start_server"],
-    },
-    include_package_data=True,
-    install_requires=[
-        "qiskit==0.36.0",
-        "pytket==1.2.2",
-        "pytket-qiskit==0.25.0",
-        "pandas==1.3.5",
-        "flask==2.2.2",
-        "networkx==2.8.6",
-        "pytest==7.1.3",
-        "qiskit_finance==0.3.4",
-        "qiskit_machine-learning==0.4.0",
-        "qiskit-nature[pyscf]==0.3.1",
-        "qiskit_optimization==0.3.2",
-        "packaging==21.3",
-        "tqdm==4.64.1",
-        "importlib_metadata>=3.6; python_version < '3.10'",
-        "importlib_resources>=5.9; python_version < '3.10'",
-    ],
-    classifiers=[
-        "Development Status :: 3 - Alpha",
-        "Intended Audience :: Developers",
-        "License :: OSI Approved :: MIT License",
-        "Operating System :: Microsoft :: Windows",
-        "Operating System :: MacOS",
-        "Operating System :: POSIX :: Linux",
-        "Programming Language :: Python :: 3",
-        "Intended Audience :: Science/Research",
-        "Natural Language :: English",
-        "Topic :: Scientific/Engineering :: Electronic Design Automation (EDA)",
-    ],
-)
+setup()