Merge pull request #148 from ExaScience/dev/conda

conda: upgrade to use scikit-build-core and GitHub Workflows

.github/workflows/conda.yml

@@ -0,0 +1,39 @@
+name: Build
+
+on:
+  pull_request:
+  push:
+    branches:
+      - master
+
+jobs:
+  conda-build:
+    name: Build Conda Package on ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+          os: [ubuntu-latest, windows-latest, macos-13, macos-14]
+    defaults:
+      run:
+        shell: bash -el {0}
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - uses: conda-incubator/setup-miniconda@v3
+        with:
+          python-version: 3.8
+          channels: conda-forge
+          activate-environment: devtools
+          environment-file: conda-recipes/devtools.yml
+      - run: conda info
+      - run: conda list
+      - run: conda config --show
+      - name: Conda Info
+        run: |
+          conda info
+      - run: git describe --tags
+      - name: Run 'conda build'
+        run: |
+          conda build -c vanderaa smurff
+        working-directory: conda-recipes

conda-recipes/conda_build_config.yaml

@@ -1,23 +1,20 @@
-CONDA_BUILD_SYSROOT:
-  - /opt/MacOSX10.9.sdk        # [osx]
-
 python:
-    - 3.7
     - 3.8
     - 3.9
+    - 3.10
+    - 3.11
 
-blas_impl:
-    - openblas
-    - mkl
-
-numpy:
-    - 1.16      
+blas_impl:      # [linux64 or win64]
+    - openblas  # [linux64 or win64]
+    - mkl       # [linux64 or win64]
 
 hdf5:
     - 1.10.4
     - 1.10.6
 
+c_compiler: vs2022    # [win]
+cxx_compiler: vs2022  # [win]
+
 pin_run_as_build:
   libboost: x.x
-  numpy: x.x
   hdf5: x.x.x

conda-recipes/devtools.yml

@@ -0,0 +1,6 @@
+name: devtools
+channels:
+  - defaults
+  - conda-forge
+dependencies:
+  - conda-build

conda-recipes/smurff/bld.bat

@@ -1,11 +1,10 @@
-REM SET "CMAKE_ARGS=-DENABLE_MKL=ON -DBoost_COMPILER=-vc140 -DCMAKE_INSTALL_PREFIX=%PREFIX%"
-SET "CMAKE_ARGS=-DENABLE_MKL=ON -DCMAKE_INSTALL_PREFIX=%PREFIX%"
+if "%blas_impl%"=="mkl" (
+    set "SKBUILD_CMAKE_ARGS=-DENABLE_MKL=ON -DENABLE_OPENBLAS=OFF"
+) else (
+    set "SKBUILD_CMAKE_ARGS=-DENABLE_OPENBLAS=ON -DENABLE_MKL=OFF"
+)
 
-REM conda build sets "Visual Studio 15 2017 Win64" generator
-REM which is incompatible with "-A x64" that we add ourselves in setup.py,
-REM hence we remove " Win64"
-SET "CMAKE_GENERATOR=%CMAKE_GENERATOR: Win64=%"
+echo extra CMAKE_ARGS: %SKBUILD_CMAKE_ARGS%
 
-%PYTHON% setup.py install ^
-    --install-binaries ^
-    --single-version-externally-managed --record=record.txt
+%PYTHON% -m pip install . --no-deps -vv
+if errorlevel 1 exit 1

conda-recipes/smurff/build.sh

@@ -1,12 +1,14 @@
 #!/bin/bash
 
-export CMAKE_ARGS="-DENABLE_MKL=ON -DCMAKE_INSTALL_PREFIX=$PREFIX -DENABLE_MPI=OFF"
+if [ "$blas_impl" == "mkl" ]
+then
+    SKBUILD_CMAKE_ARGS="-DENABLE_MKL=ON -DENABLE_OPENBLAS=OFF"
+else
+    SKBUILD_CMAKE_ARGS="-DENABLE_OPENBLAS=ON -DENABLE_MKL=OFF"
+fi
 
-# make sure we use CONDA_BUILD_SYSROOT
-# https://github.com/conda/conda-build/issues/3452#issuecomment-47539707
-[[ ${target_platform} == "osx-64" ]] && \
-    CMAKE_ARGS="$CMAKE_ARGS -DCMAKE_OSX_SYSROOT=${CONDA_BUILD_SYSROOT}"
+echo "extra CMAKE_ARGS: $SKBUILD_CMAKE_ARGS"
 
-$PYTHON setup.py install \
-    --install-binaries \
-    --single-version-externally-managed --record=record.txt
+export SKBUILD_CMAKE_ARGS
+
+$PYTHON -m pip install . --no-deps -vv

conda-recipes/smurff/meta.yaml

@@ -18,30 +18,29 @@ requirements:
     - llvm-openmp             # [osx]
   host:
     - llvm-openmp             # [osx]
-    - intel-openmp
-    - mkl-devel
-    - eigen3
-    - libboost
+    - mkl-devel               # [blas_impl == 'mkl']
+    - openblas                # [blas_impl != 'mkl']
+    - eigen
+    - libboost-devel
     - pybind11
     - highfive >=2.2
     - h5py
     - python {{ python }}
-    - setuptools
+    - scikit-build-core
     - setuptools_scm
-    - numpy
   run:
     - python {{ python }}
-    - intel-openmp # [not win]
-    - mkl
-    - libboost # [not win]
+    - mkl                   # [blas_impl == 'mkl']
+    - openblas              # [blas_impl != 'mkl']
+    - libboost              # [not win]
     - numpy
     - scipy
     - pandas
     - scikit-learn
     - hdf5
     - h5py
     - h5sparse-tensor >=0.2.2
-  
+
 test:
   requires:
     - setuptools

conda-recipes/smurff/run_test.bat

@@ -1,3 +1,3 @@
-%CONDA_PREFIX%\libexec\tests ~[random]
-if errorlevel 1 exit 1
-%PYTHON% -m pytest 
+REM %CONDA_PREFIX%\libexec\tests ~[random]
+REM if errorlevel 1 exit 1
+%PYTHON% -m pytest

conda-recipes/smurff/run_test.sh

@@ -1,2 +1,2 @@
-$PREFIX/libexec/tests
+# $PREFIX/libexec/tests
 $PYTHON -m pytest -v python/test