Merge pull request #41 from qognitive/feature/setuptools_cmake

[feature] Switching to `scikit-build`

.github/workflows/all_push.yml

@@ -31,7 +31,8 @@ jobs:
       - name: Install
         run: |
           cmake --install ${{github.workspace}}/build
-          python -m pip install .[dev]
+          python -m pip install "scikit-build-core"
+          python -m pip install ".[dev]" --no-build-isolation
       - name: Test C++
         env:
           OMP_NUM_THREADS: 2

Makefile

@@ -2,28 +2,25 @@
 # BUILD
 ###############################################################################
 
-build-cpp:
-	cmake -B build
-	cmake --build build --parallel
-	cmake --install build
-# TODO in general python build should internally trigger cmake, but for now
-# let's keep cmake lines here as we don't have any python build process yet
-
-build-py:
-	python -m pip cache purge
-	python -m pip install --upgrade pip
-	python -m pip install ".[dev]"
-	python -m build .
-
+# Build the C++/Python package from scratch (ignore existing build dir)
 .PHONY: build
-build: build-cpp build-py
+build:
+	python -m pip install -e ".[dev]"
+
+# Build the C++/Python package will try to reuse existing build directory, will
+# not always work on a fresh checkout bc it requires prereqs to be installed.
+# See https://scikit-build-core.readthedocs.io/en/latest/configuration.html#editable-installs
+.PHONY: rebuild
+rebuild:
+	python -m pip install -e ".[dev]" --no-build-isolation
+
 
 ###############################################################################
 # DOCS
 ###############################################################################
 
 .PHONY: docs
-docs: build-cpp
+docs: build
 	python -m pip install ".[docs]"
 	cd docs && doxygen Doxyfile
 	sphinx-autobuild -b html docs/ docs/html --host 0.0.0.0 --port 1900

README.md

@@ -47,19 +47,19 @@ There are two strategies for building `fast_pauli` from source. One is a quick a
 - C++ compiler with OpenMP and C++20 support (LLVM recommended)
 - Python >= 3.10
 
-#### Quick Start
+#### Quick Start (Users)
 ```bash
-make build
-make test
+python -m pip install -e ".[dev]"
+pytest -v tests/fast_pauli
 ```
 
-#### Configurable Build
+#### Configurable Build (Developers)
 ```bash
 cmake -B build # + other cmake flags
 cmake --build build --target install --parallel
 ctest --test-dir build
 
-python -m pip install -e ".[dev]"
+python -m pip install --no-build-isolation -ve.
 pytest -v tests/fast_pauli # + other pytest flags
 ```
 Compiled `_fast_pauli` python module gets installed into `fast_pauli` directory.

fast_pauli/cpp/src/CMakeLists.txt

@@ -9,6 +9,5 @@
 nanobind_add_module(_fast_pauli NOMINSIZE NOSTRIP PROTECT_STACK fast_pauli.cpp)
 target_link_libraries(_fast_pauli PRIVATE fast_pauli)
 
-install(TARGETS _fast_pauli LIBRARY DESTINATION "${PROJECT_BINARY_DIR}/fppy")
 install(TARGETS _fast_pauli
         LIBRARY DESTINATION "${PROJECT_SOURCE_DIR}/fast_pauli")

pyproject.toml

@@ -1,25 +1,52 @@
+################################################################################
+# Build System
+################################################################################
+
 [build-system]
-requires = ["setuptools>=64", "build", "setuptools_scm[toml]>=8","cmake>=3.25"]
-build-backend = "setuptools.build_meta"
+requires = [
+  # scikit-build-core uses cmake as needed (do not list it here)
+  "scikit-build-core",
+]
+build-backend = "scikit_build_core.build"
+
+
+################################################################################
+# Project
+################################################################################
 
 [project]
 name = "fast_pauli"
 readme = "README.md"
 description = "fast pauli"
+authors = [
+  { name="James. E. T. Smith", email="[email protected]" },
+  { name="Eugene Rublenko", email="[email protected]" },
+  { name="Alex Lerner", email="[email protected]" },
+  { name="Sebastien Roy", email="[email protected]" },
+  { name="Jeffrey Berger", email="[email protected]" },
+]
 dependencies = ["numpy", "scipy", "qiskit", "qiskit-algorithms"]
-dynamic = ["version"]
+version = "0.0.1"
+classifiers = [
+  "Programming Language :: Python :: 3 :: Only",
+  "Programming Language :: Python :: 3.10",
+  "Programming Language :: Python :: 3.11",
+  "Programming Language :: Python :: 3.12",
+]
+
 
 [project.optional-dependencies]
 dev = [
   "clang-format",
   "cmake-format",
   "pre-commit",
-  "build",
   "mypy",
   "ruff",
   "pytest",
   "pytest-benchmark",
-  "setuptools_scm[toml]>=8",
+  "sphinx",
+  "sphinx_rtd_theme",
+  "sphinx-autobuild",
 ]
 docs = [
   "cmake>=3.25",
@@ -35,14 +62,10 @@ docs = [
 examples = [
 ]
 
-[tool.setuptools]
-packages = ["fast_pauli"]
-
-[tool.setuptools.package-dir]
-fast_pauli = "fast_pauli"
 
-[tool.setuptools_scm]
-version_file = "fast_pauli/__version__.py"
+################################################################################
+# Linting/Formatting
+################################################################################
 
 [tool.mypy]
 warn_redundant_casts = true
@@ -103,20 +126,18 @@ indent-width = 4
 target-version = "py38"
 
 [tool.ruff.lint]
-
-# Ruff Rules https://docs.astral.sh/ruff/rules/
-# F - PyFlakes (https://docs.astral.sh/ruff/rules/#pyflakes-f)
-# E, W - pycodestyle (https://docs.astral.sh/ruff/rules/#pycodestyle-e-w)
-# I  - Isort (https://docs.astral.sh/ruff/rules/#isort-i)
-# N - PEP-8 Naming (https://docs.astral.sh/ruff/rules/#pep8-naming-n)
-# D - pydocstyle (https://docs.astral.sh/ruff/rules/#pydocstyle-d)
-# YTT - flake8-2020 (https://docs.astral.sh/ruff/rules/#flake8-2020-ytt)
-# ASYNC flake8-async (https://docs.astral.sh/ruff/rules/#flake8-async-async)
-# B flake8-bugbear (https://docs.astral.sh/ruff/rules/#flake8-bugbear-b)
-# UP flake8-bandit (https://docs.astral.sh/ruff/rules/#flake8-bandit-up)
-# SIM flake8-simplify (https://docs.astral.sh/ruff/rules/#flake8-simplify-sim)
-
-select = ["F", "E", "W", "I", "N", "D", "YTT", "ASYNC", "B", "UP", "SIM"]
+select = [
+  "F", # PyFlakes (https://docs.astral.sh/ruff/rules/#pyflakes-f)
+  "E", "W", # pycodestyle (https://docs.astral.sh/ruff/rules/#pycodestyle-e-w)
+  "I", # Isort (https://docs.astral.sh/ruff/rules/#isort-i)
+  "N", # PEP-8 Naming (https://docs.astral.sh/ruff/rules/#pep8-naming-n)
+  "D", # pydocstyle (https://docs.astral.sh/ruff/rules/#pydocstyle-d)
+  "YTT", # flake8-2020 (https://docs.astral.sh/ruff/rules/#flake8-2020-ytt)
+  "ASYNC", # flake8-async (https://docs.astral.sh/ruff/rules/#flake8-async-async)
+  "B", # flake8-bugbear (https://docs.astral.sh/ruff/rules/#flake8-bugbear-b)
+  "UP", # flake8-bandit (https://docs.astral.sh/ruff/rules/#flake8-bandit-up)
+  "SIM", # flake8-simplify (https://docs.astral.sh/ruff/rules/#flake8-simplify-sim)
+]
 
 ignore = [
   # Allow non-lowercase variable names to help the code match the math better
@@ -131,3 +152,16 @@ convention = "numpy"
 [tool.ruff.format]
 quote-style = "double"
 docstring-code-format = true
+
+
+################################################################################
+# Packaging
+################################################################################
+
+# https://scikit-build-core.readthedocs.io/en/latest/#configuration
+# Example: use LLVM
+#  pip install -e . --verbose -C cmake.args="-DCMAKE_CXX_COMPILER=clang++-18"
+[tool.scikit-build]
+cmake.build-type = "Release"
+build-dir = "build"
+# TODO add more options here