✨ Introduce Hatchling and dependency-groups (#530)

resolved #524 and resolves #525

---------

Signed-off-by: burgholzer <burgholzer@me.com>
Co-authored-by: burgholzer <burgholzer@me.com>

Author: nquetschlich

.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"],
@@ -33,6 +33,13 @@
       "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
     }
   ]
 }

.pre-commit-config.yaml

@@ -82,15 +82,13 @@ repos:
     rev: v1.15.0
     hooks:
       - id: mypy
-        files: ^(src/mqt|test/python)
+        files: ^(src/mqt|test/python|noxfile.py)
         args: []
         additional_dependencies:
           - importlib_resources
           - numpy
+          - nox
           - pytest
-          - types-setuptools
-          - types-requests
-          - types-tqdm
 
   # Check for spelling
   - repo: https://github.com/crate-ci/typos

.readthedocs.yaml

@@ -1,13 +1,12 @@
 version: 2
 
-submodules:
-  include: all
-  recursive: true
+formats:
+  - htmlzip
 
 build:
-  os: ubuntu-22.04
+  os: ubuntu-24.04
   tools:
-    python: "3.11"
+    python: "3.12"
   jobs:
     post_checkout:
       # Skip docs build if the commit message contains "skip ci"
@@ -18,13 +17,17 @@ build:
         then
           exit 183;
         fi
-
-sphinx:
-  configuration: docs/conf.py
-
-python:
-  install:
-    - method: pip
-      path: .
-      extra_requirements:
-        - docs
+      # Unshallow the git clone and fetch tags to get proper version information
+      - git fetch --unshallow --tags
+    pre_build:
+      # Set up uv
+      - asdf plugin add uv
+      - asdf install uv latest
+      - asdf global uv latest
+    build:
+      html:
+        - uv run --frozen --no-dev --group docs -m sphinx -T -b html -d docs/_build/doctrees -D language=en docs $READTHEDOCS_OUTPUT/html
+      htmlzip:
+        - uv run --frozen --no-dev --group docs -m sphinx -T -b dirhtml -d docs/_build/doctrees -D language=en docs docs/_build/dirhtml
+        - mkdir -p $READTHEDOCS_OUTPUT/htmlzip
+        - zip -r $READTHEDOCS_OUTPUT/htmlzip/html.zip docs/_build/dirhtml/*

noxfile.py

@@ -14,17 +14,12 @@
 
 
 nox.needs_version = ">=2024.3.2"
-nox.options.default_venv_backend = "uv|virtualenv"
+nox.options.default_venv_backend = "uv"
 
+nox.options.sessions = ["lint", "tests", "minimums"]
 
 PYTHON_ALL_VERSIONS = ["3.9", "3.10", "3.11", "3.12", "3.13"]
 
-BUILD_REQUIREMENTS = [
-    "setuptools>=66.1",
-    "setuptools_scm>=8.1",
-    "wheel>=0.40",
-]
-
 if os.environ.get("CI", None):
     nox.options.error_on_missing_interpreters = True
 
@@ -43,20 +38,22 @@ def _run_tests(
     *,
     install_args: Sequence[str] = (),
     run_args: Sequence[str] = (),
-    extras: Sequence[str] = (),
 ) -> None:
-    posargs = list(session.posargs)
-    env = {"PIP_DISABLE_PIP_VERSION_CHECK": "1"}
-
-    extras_ = ["test", *extras]
-    if "--cov" in posargs:
-        extras_.append("coverage")
-        posargs.append("--cov-config=pyproject.toml")
-
-    session.install(*BUILD_REQUIREMENTS, *install_args, env=env)
-    install_arg = f"-ve.[{','.join(extras_)}]"
-    session.install("--no-build-isolation", install_arg, *install_args, env=env)
-    session.run("pytest", *run_args, *posargs, env=env)
+    env = {"UV_PROJECT_ENVIRONMENT": session.virtualenv.location}
+
+    session.run(
+        "uv",
+        "run",
+        "--no-dev",
+        "--group",
+        "test",
+        *install_args,
+        "pytest",
+        *run_args,
+        *session.posargs,
+        "--cov-config=pyproject.toml",
+        env=env,
+    )
 
 
 @nox.session(reuse_venv=True, python=PYTHON_ALL_VERSIONS)
@@ -73,7 +70,9 @@ def minimums(session: nox.Session) -> None:
         install_args=["--resolution=lowest-direct"],
         run_args=["-Wdefault"],
     )
-    session.run("uv", "pip", "list")
+    env = {"UV_PROJECT_ENVIRONMENT": session.virtualenv.location}
+    session.run("uv", "tree", "--frozen", env=env)
+    session.run("uv", "lock", "--refresh", env=env)
 
 
 @nox.session(reuse_venv=True)
@@ -84,25 +83,27 @@ def docs(session: nox.Session) -> None:
     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
+    if serve:
+        session.install("sphinx-autobuild")
 
-    shared_args = (
+    env = {"UV_PROJECT_ENVIRONMENT": session.virtualenv.location}
+    shared_args = [
         "-n",  # nitpicky mode
         "-T",  # full tracebacks
         f"-b={args.builder}",
-        ".",
-        f"_build/{args.builder}",
+        "docs",
+        f"docs/_build/{args.builder}",
         *posargs,
+    ]
+
+    session.run(
+        "uv",
+        "run",
+        "--no-dev",
+        "--group",
+        "docs",
+        "--frozen",
+        "sphinx-autobuild" if serve else "sphinx-build",
+        *shared_args,
+        env=env,
     )
-
-    if serve:
-        session.run("sphinx-autobuild", "--ignore", "**jupyter**", *shared_args)
-    else:
-        session.run("sphinx-build", "--keep-going", *shared_args)

pyproject.toml

@@ -1,9 +1,9 @@
 [build-system]
 requires = [
-    "setuptools>=66.1",
-    "setuptools_scm>=8.1",
+  "hatchling>=1.27.0",
+  "hatch-vcs>=0.4.0"
 ]
-build-backend = "setuptools.build_meta"
+build-backend = "hatchling.build"
 
 [project]
 name = "mqt.bench"
@@ -50,25 +50,32 @@ classifiers = [
     "Topic :: Scientific/Engineering :: Electronic Design Automation (EDA)",
 ]
 
-[project.optional-dependencies]
-test = ["pytest>=7.2", "pytest-console-scripts>=1.4"]
-coverage = ["mqt.bench[test]", "pytest-cov>=4"]
+[dependency-groups]
+test = [
+    "pytest>=8.3.5",
+    "pytest-console-scripts>=1.4.1",
+    "pytest-cov>=6.1.1",
+]
 docs = [
-    "furo>=2023.9.10",
-    "qiskit[visualization]",
-    "setuptools-scm>=8.1",
-    "sphinx_design>=0.6",
-    "sphinx-autoapi>=3",
-    "sphinx-copybutton>=0.5",
-    "sphinxcontrib-bibtex>=2.4.2",
-    "sphinxcontrib-svg2pdfconverter>=1.2",
-    "sphinxext-opengraph>=0.9",
-    "ipython",
-    "ipykernel",
-    "nbsphinx",
-    "sphinx-autodoc-typehints",
+    "furo>=2024.8.6",
+    "qiskit[visualization]>=1.2.1",
+    "setuptools-scm>=8.2",
+    "sphinx_design>=0.6.1",
+    "sphinx-autoapi>=3.6.0",
+    "sphinx-copybutton>=0.5.2",
+    "sphinxcontrib-bibtex>=2.6.3",
+    "sphinxcontrib-svg2pdfconverter>=1.3.0",
+    "sphinxext-opengraph>=0.10.0",
+    "sphinx>=8.1.3; python_version >= '3.10'",
+    "sphinx>=8.2.3; python_version >= '3.11'",
+    "ipykernel>=6.29.5",
+    "nbsphinx>=0.9.6",
+    "sphinx-autodoc-typehints>=2.3.0",
+]
+dev = [
+  {include-group = "test"},
+  {include-group = "docs"},
 ]
-dev = ["mqt.bench[coverage, docs]"]
 
 [project.scripts]
 "create_mqt_bench_zip" = "mqt.bench.utils:create_zip_file"
@@ -81,7 +88,14 @@ Homepage = "https://github.com/cda-tum/mqtbench"
 Discussions = "https://github.com/cda-tum/mqtbench/discussions"
 Research = "https://www.cda.cit.tum.de/research/quantum/"
 
-[tool.setuptools_scm]
+[tool.hatch.build.targets.wheel]
+packages = ["src/mqt"]
+
+[tool.hatch.version]
+source = "vcs"
+
+[tool.hatch.build.hooks.vcs]
+version-file = "src/mqt/bench/_version.py"
 
 [tool.pytest.ini_options]
 minversion = "7.2"