Merge pull request OpenChemistry#322 from OpenChemistry/wheel-fixes

Wheel build fixes

.github/scripts/install.sh

@@ -4,7 +4,7 @@ set -ev
 pip install cibuildwheel
 
 if [[ $RUNNER_OS == "Windows" ]]; then
-    git clone --recursive -b 3.3.9 --depth 1 https://gitlab.com/libeigen/eigen /c/eigen
+    .github/scripts/install_eigen_windows.sh
 elif [[ $RUNNER_OS == "macOS" ]]; then
-    brew install eigen hdf5 ninja
+    brew install eigen ninja
 fi

.github/scripts/install_eigen_windows.sh

@@ -0,0 +1,9 @@
+#!/usr/bin/env bash
+set -ev
+
+choco install ninja
+git clone --recursive -b 3.3.9 --depth 1 https://gitlab.com/libeigen/eigen /c/eigen
+mkdir /c/build
+cd /c/build
+cmake -GNinja /c/eigen
+ninja install

.github/scripts/install_hdf5_macos.sh

@@ -0,0 +1,18 @@
+#!/usr/bin/env bash
+set -ev
+
+VERSION="1.14.4"
+PATCH_LABEL="3"
+VERSION_PATH="hdf5_$VERSION.$PATCH_LABEL"
+NAME="hdf5-$VERSION-$PATCH_LABEL"
+TARBALL="$NAME.tar.gz"
+wget https://github.com/HDFGroup/hdf5/releases/download/$VERSION_PATH/$TARBALL
+tar -xzf $TARBALL
+mkdir build
+cd build
+cmake -GNinja ../$NAME -DHDF5_ENABLE_SZIP_ENCODING:BOOL=OFF -DBUILD_TESTING:BOOL=OFF
+ninja
+sudo ninja install
+# We create a symlink to the install directory that doesn't include the version number, so
+# we can use it elsewhere without having to change the version number.
+sudo ln -s /usr/local/HDF_Group/HDF5/$VERSION /usr/local/HDF_Group/HDF5/current

.github/workflows/build_wheels.yml

@@ -20,18 +20,22 @@ env:
 
   # Specify eigen location for windows, and force it to use python in the path...
   CIBW_ENVIRONMENT_WINDOWS: >
-    EXTRA_CMAKE_ARGS="-DEIGEN3_INCLUDE_DIR=C:\\eigen;-Dstempy_ENABLE_HDF5=OFF"
+    EXTRA_CMAKE_ARGS="-DEIGEN3_DIR=C:\\PROGRA~2\\Eigen3\\share\\eigen3\\cmake\\;-Dstempy_ENABLE_HDF5=OFF"
     USE_PYTHON_IN_PATH=1
 
   # Get cmake to use python in the path...
-  CIBW_ENVIRONMENT_MACOS: USE_PYTHON_IN_PATH=1
+  CIBW_ENVIRONMENT_MACOS: >
+    EXTRA_CMAKE_ARGS="-DHDF5_DIR=/usr/local/HDF_Group/HDF5/current/cmake"
+    USE_PYTHON_IN_PATH=1
 
   CIBW_BEFORE_TEST: pip install -r {project}/tests/requirements.txt
 
   CIBW_TEST_COMMAND: pytest {project}/tests
 
   CIBW_ARCHS_MACOS: x86_64 arm64
 
+  CIBW_BEFORE_ALL_MACOS: . .github/scripts/install_hdf5_macos.sh
+
 # Use bash by default for the run command
 defaults:
   run:
@@ -54,7 +58,7 @@ jobs:
           fetch-depth: 0
           submodules: recursive
 
-      - uses: actions/setup-python@v4
+      - uses: actions/setup-python@v5
         name: Install Python
         with:
           python-version: '3.10'

.github/workflows/docker.yml

@@ -25,7 +25,7 @@ jobs:
 
     steps:
       - name: Checkout
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
         with:
           fetch-depth: 0
           submodules: 'recursive'

CMakeLists.txt

@@ -30,7 +30,6 @@ include_directories(
 )
 
 find_package(Eigen3 REQUIRED)
-include_directories(SYSTEM ${EIGEN3_INCLUDE_DIR})
 
 find_package(Python3 REQUIRED COMPONENTS Interpreter Development.Module)
 add_subdirectory(${PROJECT_SOURCE_DIR}/thirdparty/pybind11)
@@ -39,7 +38,7 @@ set(PYBIND11_CPP_STANDARD "-std=c++14" CACHE STRING "")
 
 option(BUILD_SHARED_LIBS "Build shared libraries" ON)
 
-set(_libs Threads::Threads)
+set(_libs Threads::Threads Eigen3::Eigen)
 
 option(stempy_ENABLE_MPI "Build with MPI" OFF)
 if (stempy_ENABLE_MPI)

pyproject.toml

@@ -1,2 +1,2 @@
 [build-system]
-requires = ["setuptools", "wheel", "scikit-build==0.14.1", "setuptools_scm[toml]"]
+requires = ["setuptools", "wheel", "scikit-build", "setuptools_scm[toml]"]