build: Migrate to hatchling for packaging (#553)

* Change from setuptools to hatchling for packaging and package
  distribution building.
   - Move all packaging information into pyproject.toml.
   - Use vcs information to determine version information.
   - Ignore the vcs generated _version.py file.
   - Remove setup.cfg and VERSION files.
* Switching to getting version information from importlib.metadata.version
  in the docs.
* Clone the full repository history as needed in CI to get all tag information.

.github/workflows/docs.yml

@@ -7,14 +7,12 @@ on:
     paths:
       - "docs/**"
       - "madminer/**"
-      - "setup.py"
   pull_request:
     branches:
       - main
     paths:
       - "docs/**"
       - "madminer/**"
-      - "setup.py"
   workflow_dispatch:
 
 concurrency:
@@ -29,6 +27,8 @@ jobs:
     steps:
     - name: "Set up GitHub Actions"
       uses: actions/checkout@v4
+      with:
+        fetch-depth: 0
     - name: "Set up Python"
       uses: actions/setup-python@v5
       with:

.github/workflows/publish.yml

@@ -21,6 +21,8 @@ jobs:
     steps:
     - name: "Set up GitHub Actions"
       uses: actions/checkout@v4
+      with:
+        fetch-depth: 0
     - name: "Set up Python"
       uses: actions/setup-python@v5
       with:

.gitignore

@@ -144,3 +144,6 @@ patches/
 black.sh
 run_sphinx.sh
 publish.sh
+
+# version information
+*_version.py

Makefile

@@ -1,9 +1,7 @@
-PKG_VERSION   = $(shell cat VERSION)
 DOCS_FOLDER   = "docs"
 SOURCE_FOLDER = "madminer"
 TESTS_FOLDER  = "tests"
 
-
 .PHONY: build
 build:
 	@echo "Building package"
@@ -26,7 +24,8 @@ docs:
 .PHONY: tag
 tag:
 	@echo "Tagging current commit"
-	@git tag --annotate "v$(PKG_VERSION)" --message "Tag v$(PKG_VERSION)"
+	@git tag --annotate "v$(shell python -c 'from importlib.metadata import version; print(version("madminer"))')" \
+	--message "Tag v$(shell python -c 'from importlib.metadata import version; print(version("madminer"))')"
 	@git push --follow-tags
 
 

docs/conf.py

@@ -16,19 +16,21 @@
 # sys.path.insert(0, os.path.abspath('.'))
 
 from pathlib import Path
+import importlib.metadata
 
 # -- Project information -----------------------------------------------------
 
-project_folder = Path(__file__).parent.parent
-version_file = project_folder.joinpath("VERSION")
-
 project = 'MadMiner'
 authors = 'Johann Brehmer, Felix Kling, Irina Espejo, Sinclert Perez, Kyle Cranmer'
-version = open(version_file).read().strip()
 copyright = '{} 2018-2020'.format(authors)
 
-# The full version, including alpha/beta/rc tags
-release = version
+# The version info for the project you're documenting, acts as replacement for
+# |version| and |release|, also used in various other places throughout the
+# built documents.
+# The full version, including alpha/beta/rc tags.
+release = importlib.metadata.version("madminer")
+# for example take major/minor/patch
+version = ".".join(release.split(".")[:3])
 
 
 # -- General configuration ---------------------------------------------------

pyproject.toml

@@ -1,21 +1,118 @@
-# Black formatting options
+[build-system]
+requires = [
+    "hatchling>=1.13.0",
+    "hatch-vcs>=0.3.0",
+]
+build-backend = "hatchling.build"
+
+[project]
+name = "madminer"
+dynamic = ["version"]
+description = "Mining gold from MadGraph to improve limit setting in particle physics"
+readme = "README.md"
+license = { text = "MIT" }  # SPDX short identifier
+requires-python = ">=3.8"
+authors = [
+    { name = "Johann Brehmer", email = "[email protected]" },
+    { name = "Felix Kling" },
+    { name = "Irina Espejo" },
+    { name = "Sinclert Perez" },
+    { name = "Kyle Cranmer", email = "[email protected]" },
+]
+maintainers = [ {name = "Matthew Feickert", email = "[email protected]"} ]
+keywords = [
+    "physics",
+    "simulation based inference",
+]
+classifiers = [
+    "Development Status :: 4 - Beta",
+    "Intended Audience :: Science/Research",
+    "License :: OSI Approved :: MIT License",
+    "Operating System :: OS Independent",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+    "Programming Language :: Python :: Implementation :: CPython",
+    "Topic :: Scientific/Engineering",
+    "Topic :: Scientific/Engineering :: Physics",
+]
+dependencies = [
+    "h5py",
+    "matplotlib>=2.0.0",
+    "particle>=0.16.0",
+    "scipy>=1.0.0",
+    "sympy>=0.7.4",
+    "torch>=1.0.0",
+    "uproot>=4.0.0",
+    "vector>=0.8.4",
+    "numpy",  # compatible versions controlled through scipy
+]
+
+[project.urls]
+Documentation = "https://madminer.readthedocs.io/"
+Homepage = "https://github.com/madminer-tool/madminer"
+"Issue Tracker" = "https://github.com/madminer-tool/madminer/issues"
+"Releases" = "https://github.com/madminer-tool/madminer/releases"
+"Source Code" = "https://github.com/madminer-tool/madminer"
+
+[project.optional-dependencies]
+examples = [
+    "bqplot",
+    "pandas",
+]
+
+# Developer extras
+lint = [
+    "black[jupyter]",
+    "isort",
+]
+test = [
+    "pytest>=6.0",
+]
+docs = [
+    "myst-parser",
+    "numpydoc",
+    "sphinx>=7.0.0",
+    "sphinx-rtd-theme>=1.3.0",
+]
+
+[tool.hatch.version]
+source = "vcs"
+
+[tool.hatch.version.raw-options]
+local_scheme = "no-local-version"
+
+[tool.hatch.build.hooks.vcs]
+version-file = "madminer/_version.py"
+
+[tool.hatch.build.targets.sdist]
+# hatchling always includes:
+# pyproject.toml, .gitignore, any README, any LICENSE, AUTHORS
+only-include = [
+    "/madminer",
+    "/CITATION.cff"
+]
+
+[tool.hatch.build.targets.wheel]
+packages = ["madminer"]
+
 [tool.black]
 line-length = 120
 target-version = ['py38', 'py39', 'py310']
-include = '(\.py$|\.ipynb$)'
+include = '(\.pyi?$|\.ipynb$)'
 exclude = '''
 (
     \.eggs
   | \.git
-  | \.hg
   | \.mypy_cache
   | \.tox
+  | \.nox
   | \.venv
-  | _build
-  | buck-out
   | build
   | dist
-  | mg_processes
 )
 '''
 
@@ -24,3 +121,16 @@ force_single_line = true
 ignore_whitespace = true
 only_sections = true
 profile = "black"
+
+[tool.coverage.run]
+source = ["madminer"]
+branch = true
+omit = ["*/madminer/typing.py"]
+
+[tool.coverage.report]
+precision = 1
+sort = "cover"
+show_missing = true
+exclude_also = [
+    "if TYPE_CHECKING:"
+]