Metadata improvements (#2462)

Changes in this PR:
- Move all supported configuration to `pyproject.toml` from `setup.py`
and `setup.cfg`.
- Populate additional fields to `project` and `build-system` sections of
`pyproject.toml`.
- Use build packages from pyproject's `build-system` section in the
conda `meta.yaml` to keep it in sync.
- Use package managed `versioneer`.

The PR is implemented in a way as
[dpctl-1660](IntelPython/dpctl#1660) was done.

Author: antonwolfy

.flake8

@@ -54,11 +54,11 @@ exclude =
     .git,
     benchmarks/*.py,
     build,
+    dpnp/_version.py,
     dpnp/to_numba/*.py,
     conda.recipe,
     dpnp/tests/*.py,
     tests_external/*.py,
-    versioneer.py,
 
 # Print detailed statistic if any issue detected
 count = True

.gitattributes

@@ -0,0 +1 @@
+dpnp/_version.py export-subst

.pre-commit-config.yaml

@@ -54,11 +54,13 @@ repos:
     rev: 25.1.0
     hooks:
     -   id: black
+        exclude: "dpnp/_version.py"
 -   repo: https://github.com/pycqa/isort
     rev: 6.0.1
     hooks:
     -   id: isort
         name: isort (python)
+        exclude: "dpnp/_version.py"
     -   id: isort
         name: isort (cython)
         types: [cython]

CHANGELOG.md

@@ -40,6 +40,7 @@ This release achieves 100% compliance with Python Array API specification (revis
 * Updates the list of required python versions documented in `Quick Start Guide` [#2449](https://github.com/IntelPython/dpnp/pull/2449)
 * Updated FFT module to ensure an input array is Hermitian before calling complex-to-real FFT [#2444](https://github.com/IntelPython/dpnp/pull/2444)
 * Aligned `black` configuration with the list of supported python versions [#2457](https://github.com/IntelPython/dpnp/pull/2457)
+* Use `pyproject.toml` instead of `setup.py` aligning with current packaging best practices [#2462](https://github.com/IntelPython/dpnp/pull/2462)
 
 ### Fixed
 

CMakeLists.txt

@@ -55,6 +55,7 @@ FetchContent_Declare(
     pybind11
     URL https://github.com/pybind/pybind11/archive/refs/tags/v2.13.6.tar.gz
     URL_HASH SHA256=e08cb87f4773da97fa7b5f035de8763abc656d87d5773e62f6da0587d1f0ec20
+    FIND_PACKAGE_ARGS NAMES pybind11
 )
 FetchContent_MakeAvailable(pybind11)
 

conda-recipe/bld.bat

@@ -1,25 +1,22 @@
 REM A workaround for activate-dpcpp.bat issue to be addressed in 2021.4
-SET "LIB=%BUILD_PREFIX%\Library\lib;%BUILD_PREFIX%\compiler\lib;%LIB%"
-SET "INCLUDE=%BUILD_PREFIX%\include;%INCLUDE%"
+set "LIB=%BUILD_PREFIX%\Library\lib;%BUILD_PREFIX%\compiler\lib;%LIB%"
+set "INCLUDE=%BUILD_PREFIX%\include;%INCLUDE%"
 
 "%PYTHON%" setup.py clean --all
 
 set "MKLROOT=%PREFIX%/Library"
 set "TBB_ROOT_HINT=%PREFIX%/Library"
 set "DPL_ROOT_HINT=%PREFIX%/Library"
 
-set "SKBUILD_ARGS=-G Ninja -- -DCMAKE_C_COMPILER:PATH=icx -DCMAKE_CXX_COMPILER:PATH=icx -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON"
-set "SKBUILD_ARGS=%SKBUILD_ARGS% -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON"
-
 REM Overriding IPO is useful for building in resources constrained VMs (public CI)
 if DEFINED OVERRIDE_INTEL_IPO (
-   set "SKBUILD_ARGS=%SKBUILD_ARGS% -DCMAKE_INTERPROCEDURAL_OPTIMIZATION:BOOL=FALSE"
+  set "CMAKE_ARGS=%CMAKE_ARGS% -DCMAKE_INTERPROCEDURAL_OPTIMIZATION:BOOL=FALSE"
 )
 
-FOR %%V IN (17.0.0 17 18.0.0 18 19.0.0 19) DO @(
+FOR %%V IN (17.0.0 17 18.0.0 18 19.0.0 19 20.0.0 20 21.0.0 21) DO @(
   REM set DIR_HINT if directory exists
   IF EXIST "%BUILD_PREFIX%\Library\lib\clang\%%V\" (
-    SET "SYCL_INCLUDE_DIR_HINT=%BUILD_PREFIX%\Library\lib\clang\%%V"
+    set "SYCL_INCLUDE_DIR_HINT=%BUILD_PREFIX%\Library\lib\clang\%%V"
   )
 )
 
@@ -37,21 +34,37 @@ if EXIST "%PLATFORM_DIR%" (
   if errorlevel 1 exit 1
 )
 
-if NOT "%WHEELS_OUTPUT_FOLDER%"=="" (
-  rem Install and assemble wheel package from the build bits
-  "%PYTHON%" setup.py install bdist_wheel %SKBUILD_ARGS%
-  if errorlevel 1 exit 1
-  copy dist\dpnp*.whl %WHEELS_OUTPUT_FOLDER%
-  if errorlevel 1 exit 1
-) ELSE (
-  rem Only install
-  "%PYTHON%" setup.py install %SKBUILD_ARGS%
-  if errorlevel 1 exit 1
+set "CC=icx"
+set "CXX=icx"
+
+set "CMAKE_GENERATOR=Ninja"
+:: Make CMake verbose
+set "VERBOSE=1"
+
+%PYTHON% -m build -w -n -x
+if %ERRORLEVEL% neq 0 exit 1
+
+:: `pip install dist\numpy*.whl` does not work on windows,
+:: so use a loop; there's only one wheel in dist/ anyway
+for /f %%f in ('dir /b /S .\dist') do (
+  %PYTHON% -m wheel tags --remove --build %GIT_DESCRIBE_NUMBER% %%f
+  if %ERRORLEVEL% neq 0 exit 1
 )
 
-rem copy back
-if EXIST "%PLATFORM_DIR%" (
-  rem copy back
-  copy /Y "%FN%" "%PLATFORM_DIR%\%FN%"
-  if errorlevel 1 exit 1
+:: wheel file was renamed
+for /f %%f in ('dir /b /S .\dist') do (
+  %PYTHON% -m pip install %%f ^
+    --no-build-isolation ^
+    --no-deps ^
+    --only-binary :all: ^
+    --no-index ^
+    --prefix %PREFIX% ^
+    -vv
+  if %ERRORLEVEL% neq 0 exit 1
+)
+
+:: Copy wheel package
+if NOT "%WHEELS_OUTPUT_FOLDER%"=="" (
+  copy dist\dpnp*.whl %WHEELS_OUTPUT_FOLDER%
+  if %ERRORLEVEL% neq 0 exit 1
 )

conda-recipe/build.sh

@@ -12,19 +12,38 @@ export ICPXCFG
 ICXCFG="$(pwd)/icpx_for_conda.cfg"
 export ICXCFG
 
-export CMAKE_GENERATOR="Ninja"
-export TBB_ROOT_HINT=$PREFIX
-export DPL_ROOT_HINT=$PREFIX
-export MKL_ROOT_HINT=$PREFIX
-SKBUILD_ARGS=(-- "-DCMAKE_C_COMPILER:PATH=icx" "-DCMAKE_CXX_COMPILER:PATH=icpx" "-DCMAKE_VERBOSE_MAKEFILE:BOOL=ON")
-SKBUILD_ARGS=("${SKBUILD_ARGS[@]}" "-DCMAKE_VERBOSE_MAKEFILE:BOOL=ON")
-SKBUILD_ARGS=("${SKBUILD_ARGS[@]}" "-DDPNP_WITH_REDIST:BOOL=ON")
-
-# Build wheel package
-WHEELS_BUILD_ARGS=("-p" "manylinux_2_28_x86_64")
-if [ -n "${WHEELS_OUTPUT_FOLDER}" ]; then
-    $PYTHON setup.py install bdist_wheel "${WHEELS_BUILD_ARGS[@]}" "${SKBUILD_ARGS[@]}"
-    cp dist/dpnp*.whl "${WHEELS_OUTPUT_FOLDER}"
-else
-    $PYTHON setup.py install "${SKBUILD_ARGS[@]}"
+read -r GLIBC_MAJOR GLIBC_MINOR <<<"$(conda list '^sysroot_linux-64$' \
+    | tail -n 1 | awk '{print $2}' | grep -oP '\d+' | head -n 2 | tr '\n' ' ')"
+
+if [ -e "_skbuild" ]; then
+    ${PYTHON} setup.py clean --all
+fi
+
+export CC=icx
+export CXX=icpx
+
+export CMAKE_GENERATOR=Ninja
+# Make CMake verbose
+export VERBOSE=1
+
+CMAKE_ARGS="${CMAKE_ARGS} -DDPNP_WITH_REDIST:BOOL=ON"
+
+# -wnx flags mean: --wheel --no-isolation --skip-dependency-check
+${PYTHON} -m build -w -n -x
+
+${PYTHON} -m wheel tags --remove --build "$GIT_DESCRIBE_NUMBER" \
+    --platform-tag "manylinux_${GLIBC_MAJOR}_${GLIBC_MINOR}_x86_64" \
+    dist/dpnp*.whl
+
+${PYTHON} -m pip install dist/dpnp*.whl \
+    --no-build-isolation \
+    --no-deps \
+    --only-binary :all: \
+    --no-index \
+    --prefix "${PREFIX}" \
+    -vv
+
+# Copy wheel package
+if [[ -d "${WHEELS_OUTPUT_FOLDER}" ]]; then
+    cp dist/dpnp*.whl "${WHEELS_OUTPUT_FOLDER[@]}"
 fi

conda-recipe/meta.yaml

@@ -2,6 +2,9 @@
 {% set required_compiler_and_mkl_version = "2025.0" %}
 {% set required_dpctl_version = "0.20.0*" %}
 
+{% set pyproject = load_file_data('pyproject.toml') %}
+{% set py_build_deps = pyproject.get('build-system', {}).get('requires', []) %}
+
 package:
     name: dpnp
     version: {{ GIT_DESCRIBE_TAG }}
@@ -11,18 +14,27 @@ source:
 requirements:
     host:
       - python
-      - setuptools
-      - numpy >=1.23
-      - cython
-      - cmake >=3.21
-      - ninja
-      - git
+      - pip >=25.0
+      - pybind11 >=2.13.6
+      {% for dep in py_build_deps %}
+      {% if dep.startswith('dpctl') %}
       - dpctl >={{ required_dpctl_version }}
+      {% elif dep.startswith('ninja') %}
+      - {{ dep.split(';')[0] }} # [not win]
+      {% elif dep.startswith('cmake') %}
+      - {{ dep }}
+      {% elif dep.startswith('build>=') %}
+      - {{ 'python-' ~ dep }}
+      {% else %}
+      - {{ dep|replace('_','-') }}
+      {% endif %}
+      {% endfor %}
+      # versioneer dependency
+      - tomli # [py<311]
+      # Do not use pyproject.toml for setting dependencies on OneAPI packages
       - mkl-devel-dpcpp >={{ required_compiler_and_mkl_version }},<{{ max_compiler_and_mkl_version }}
       - onedpl-devel
       - tbb-devel
-      - wheel
-      - scikit-build
     build:
       - {{ compiler('cxx') }}
       - {{ compiler('dpcpp') }} >={{ required_compiler_and_mkl_version }},<{{ max_compiler_and_mkl_version }}

doc/quick_start_guide.rst

@@ -94,17 +94,17 @@ On Linux:
 
 .. code-block:: bash
 
-    conda create -n build-env dpctl cython dpcpp_linux-64 mkl-devel-dpcpp tbb-devel \
-          onedpl-devel cmake scikit-build ninja pytest intel-gpu-ocl-icd-system     \
+    conda create -n build-env dpctl cython dpcpp_linux-64 mkl-devel-dpcpp tbb-devel        \
+          onedpl-devel cmake scikit-build ninja versioneer pytest intel-gpu-ocl-icd-system \
           -c dppy/label/dev -c https://software.repos.intel.com/python/conda/ -c conda-forge --override-channels
     conda activate build-env
 
 On Windows:
 
 .. code-block:: bash
 
-    conda create -n build-env dpctl cython dpcpp_win-64 mkl-devel-dpcpp tbb-devel \
-          onedpl-devel cmake scikit-build ninja pytest intel-gpu-ocl-icd-system   \
+    conda create -n build-env dpctl cython dpcpp_win-64 mkl-devel-dpcpp tbb-devel          \
+          onedpl-devel cmake scikit-build ninja versioneer pytest intel-gpu-ocl-icd-system \
           -c dppy/label/dev -c https://software.repos.intel.com/python/conda/ -c conda-forge --override-channels
     conda activate build-env