Add BLAS/LAPACK to the image

.github/dependabot.yml

@@ -0,0 +1,7 @@
+version: 2
+updates:
+  - package-ecosystem: "github-actions"
+    directory: "/"
+    schedule:
+      # Check for updates to GitHub Actions every week
+      interval: "weekly"

.github/workflows/build-image.yml

@@ -6,40 +6,23 @@ on:
     branches: [ main ]
   workflow_dispatch:
 
-jobs:
-  build_x86_64:
-    name: Build image for x86_64
-    runs-on: ubuntu-latest
-
-    steps:
-    - uses: actions/checkout@v4
-    - name: Set up Docker Buildx
-      uses: docker/setup-buildx-action@v3
-    - name: Login to GitHub Container Registry
-      uses: docker/login-action@v3
-      with:
-        registry: ghcr.io
-        username: ${{ github.repository_owner }}
-        password: ${{ secrets.GITHUB_TOKEN }}
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
-    - name: Build and push
-      uses: docker/build-push-action@v6
-      with:
-        platforms: linux/amd64
-        push: ${{ github.ref_name == 'main' }}
-        tags: ghcr.io/cantera/manylinux_2_28_x86_64-hdf5-boost
-        build-args: |
-          TARGET_ARCH=x86_64
-        cache-from: type=gha
-        cache-to: type=gha,mode=max
-
-  build_aarch64:
-    name: Build image for aarch64
+jobs:
+  build:
+    name: Build image for ${{ matrix.arch }}
     runs-on: ubuntu-latest
-
+    strategy:
+      matrix:
+        include:
+          - arch: x86_64
+            plat: linux/amd64
+          - arch: aarch64
+            plat: linux/arm64
     steps:
     - uses: actions/checkout@v4
-
     - name: Set up Docker Buildx
       uses: docker/setup-buildx-action@v3
     - name: Login to GitHub Container Registry
@@ -48,19 +31,19 @@ jobs:
         registry: ghcr.io
         username: ${{ github.repository_owner }}
         password: ${{ secrets.GITHUB_TOKEN }}
-
-    - name: Setup up QEMU
+    - name: Set up QEMU
+      if: matrix.arch == 'aarch64'
       uses: docker/setup-qemu-action@v3
       with:
         platforms: arm64
-
     - name: Build and push
       uses: docker/build-push-action@v6
       with:
-        platforms: linux/arm64
-        push: ${{ github.ref_name == 'main' }}
-        tags: ghcr.io/cantera/manylinux_2_28_aarch64-hdf5-boost
+        platforms: ${{ matrix.plat }}
+        push: ${{ github.event_name != 'pull_request' }}
+        tags: ghcr.io/cantera/cantera-base-manylinux_2_28-${{ matrix.arch }}
         build-args: |
-          TARGET_ARCH=aarch64
+          TARGET_ARCH=${{ matrix.arch }}
+        target: builder
         cache-from: type=gha
         cache-to: type=gha,mode=max

CMakeLists.txt

@@ -6,11 +6,11 @@ include(ExternalProject)
 
 set(DOWNLOAD_DIR "/cache")
 
-set(BOOST_VERSION 1.85.0)
+set(BOOST_VERSION 1.86.0)
 ExternalProject_Add(
     boost
     URL https://github.com/boostorg/boost/releases/download/boost-${BOOST_VERSION}/boost-${BOOST_VERSION}-cmake.tar.xz
-    URL_HASH SHA256=0a9cc56ceae46986f5f4d43fe0311d90cf6d2fa9028258a95cab49ffdacf92ad
+    URL_HASH SHA256=2c5ec5edcdff47ff55e27ed9560b0a0b94b07bd07ed9928b476150e16b0efc57
     CMAKE_GENERATOR Ninja
     CMAKE_CACHE_ARGS
         -DCMAKE_BUILD_TYPE:STRING=Release
@@ -19,36 +19,32 @@ ExternalProject_Add(
     DOWNLOAD_DIR ${DOWNLOAD_DIR}
 )
 
-set(LIBAEC_VERSION 1.0.6)
-set(LIBAEC_PATCHFILE)
-ExternalProject_Add(
-    libaec
-    URL https://gitlab.dkrz.de/k202009/libaec/uploads/45b10e42123edd26ab7b3ad92bcf7be2/libaec-${LIBAEC_VERSION}.tar.gz
-    URL_HASH SHA256=032961877231113bb094ef224085e6d66fd670f85a3e17f53d0f131abf24f2fd
-    PATCH_COMMAND patch -p0 < ${LIBAEC_PATCHFILE}
-    CMAKE_GENERATOR Ninja
-    CMAKE_CACHE_ARGS
-        -DCMAKE_BUILD_TYPE:STRING=Release
-        -DCMAKE_INSTALL_LIBDIR:STRING=lib
-        -DBUILD_TESTING:BOOL=OFF
-    DOWNLOAD_DIR ${DOWNLOAD_DIR}
-)
-
-set(LIBHDF5_VERSION 1.14.2)
-set(LIBHDF5_SHORT_VERSION 1.14)
+set(LIBHDF5_VERSION 1.14.5)
+set(ZLIB_VERSION 1.3)
+set(LIBAEC_VERSION 1.1.3)
 ExternalProject_Add(
     libhdf5
-    URL https://www.hdfgroup.org/ftp/HDF5/releases/hdf5-${LIBHDF5_SHORT_VERSION}/hdf5-${LIBHDF5_VERSION}/src/hdf5-${LIBHDF5_VERSION}.tar.gz
-    URL_HASH SHA256=1c342e634008284a8c2794c8e7608e2eaf26d01d445fb3dfd7f33cb2fb51ac53
+    URL https://github.com/HDFGroup/hdf5/releases/download/hdf5_${LIBHDF5_VERSION}/hdf5-${LIBHDF5_VERSION}.tar.gz
+    URL_HASH SHA256=ec2e13c52e60f9a01491bb3158cb3778c985697131fc6a342262d32a26e58e44
     CMAKE_GENERATOR Ninja
     CMAKE_CACHE_ARGS
         -DCMAKE_BUILD_TYPE:STRING=Release
         -DCMAKE_INSTALL_PREFIX:STRING=/usr/local
         -DHDF5_ENABLE_Z_LIB_SUPPORT:BOOL=ON
         -DHDF5_ENABLE_SZIP_SUPPORT:BOOL=ON
         -DHDF5_BUILD_EXAMPLES:BOOL=OFF
+        -DHDF5_BUILD_TOOLS:BOOL=OFF
         -DBUILD_TESTING:BOOL=OFF
-    DEPENDS libaec
+        -DHDF5_ALLOW_EXTERNAL_SUPPORT:STRING=TGZ
+        -DZLIB_PACKAGE_NAME:STRING=zlib
+        -DZLIB_TGZ_NAME:STRING=zlib-${ZLIB_VERSION}.tar.gz
+        -DZLIB_TGZ_ORIGPATH:STRING=https://github.com/madler/zlib/releases/download/v${ZLIB_VERSION}
+        -DZLIB_USE_LOCALCONTENT:BOOL=OFF
+        -DLIBAEC_PACKAGE_NAME:STRING=libaec
+        -DLIBAEC_TGZ_NAME:STRING=libaec-${LIBAEC_VERSION}.tar.gz
+        -DLIBAEC_TGZ_ORIGPATH:STRING=https://github.com/MathisRosenhauer/libaec/releases/download/v${LIBAEC_VERSION}
+        -DLIBAEC_USE_LOCALCONTENT:BOOL=OFF
+        -DHDF_PACKAGE_NAMESPACE:STRING=ct
     DOWNLOAD_DIR ${DOWNLOAD_DIR}
 )
 
@@ -72,7 +68,7 @@ ExternalProject_Add(
     URL_HASH SHA256=fbe74bbdcee21d656715688706da3c8becfd946d92cd44705cc6098bb23b3a16
     CMAKE_GENERATOR Ninja
     CMAKE_CACHE_ARGS
-        -DCMAKE_BUILD_TYPE:STRING=release
+        -DCMAKE_BUILD_TYPE:STRING=Release
         -DCMAKE_INSTALL_LIBDIR:STRING=lib
         -DYAML_CPP_DISABLE_UNINSTALL:BOOL=OFF
         -DYAML_CPP_FORMAT_SOURCE:BOOL=OFF
@@ -93,6 +89,8 @@ ExternalProject_Add(
         -DBUILD_SHARED_LIBS:BOOL=OFF
         -DEXAMPLES_ENABLE_C:BOOL=OFF
         -DEXAMPLES_INSTALL:BOOL=OFF
+        -DENABLE_LAPACK:BOOL=ON
+        -DBLA_VENDOR:STRING=OpenBLAS
     DOWNLOAD_DIR ${DOWNLOAD_DIR}
 )
 
@@ -111,11 +109,11 @@ ExternalProject_Add(
     DOWNLOAD_DIR ${DOWNLOAD_DIR}
 )
 
-set(HIGHFIVE_VERSION 2.9.0)
+set(HIGHFIVE_VERSION 2.10.0)
 ExternalProject_Add(
     highfive
     URL https://github.com/BlueBrain/HighFive/archive/refs/tags/v${HIGHFIVE_VERSION}.tar.gz
-    URL_HASH SHA256=6301def8ceb9f4d7a595988612db288b448a3c0546f6c83417dab38c64994d7e
+    URL_HASH SHA256=c29e8e1520e7298fabb26545f804e35bb3af257005c1c2df62e39986458d7c38
     CMAKE_GENERATOR Ninja
     CMAKE_CACHE_ARGS
         -DCMAKE_BUILD_TYPE:STRING=Release

Dockerfile

@@ -2,23 +2,39 @@
 # from TARGETARCH which is defined by docker. The reason is because TARGETARCH=amd64
 # but we need TARGET_ARCH=x86_64
 ARG TARGET_ARCH
-FROM quay.io/pypa/manylinux_2_28_${TARGET_ARCH}:2024-07-15-c746fd8
+FROM quay.io/pypa/manylinux_2_28_${TARGET_ARCH}:2024-10-05-46a4cc2 AS builder
 
 ARG NINJA_VERSION=1.12.1
 # Has to be repeated here so it's imported from the "top level" above the FROM
 ARG TARGET_ARCH
 
-COPY CMakeLists.txt libaec_cmakelists.patch /tmp/
+COPY CMakeLists.txt /build/
+WORKDIR /build/
 
 RUN --mount=type=cache,target=/cache \
     if [[ "$TARGET_ARCH" == "aarch64" ]]; then NINJA_ARCH="-aarch64"; else NINJA_ARCH=""; fi \
     && echo "Getting Ninja for '${NINJA_ARCH}'" \
     && curl -fsSL -o /cache/ninja-linux.zip https://github.com/ninja-build/ninja/releases/download/v${NINJA_VERSION}/ninja-linux${NINJA_ARCH}.zip \
     && unzip /cache/ninja-linux.zip -d /usr/local/bin \
     && ninja --version \
-    && mkdir build \
+    && yum install -y openblas-devel \
+    && cmake -G Ninja -S . -B build \
     && pushd build \
-    && cmake -G Ninja -DLIBAEC_PATCHFILE=/tmp/libaec_cmakelists.patch ../tmp \
     && ninja \
     && popd \
     && rm -rf build
+
+# FROM builder AS tester
+
+# RUN yum install -y python3.12-pip \
+#     && python3.12 -m pip install --root-user-action=ignore build auditwheel
+
+# COPY cantera-3.1.0a4.tar.gz /project/
+
+# RUN --mount=type=cache,target=/root/.cache \
+#     pushd project \
+#     && tar --strip-components=1 -zxf cantera-*.tar.gz \
+#     && rm -f cantera-*.tar.gz \
+#     && python3.12 -m build --wheel . \
+#     && pushd dist \
+#     && auditwheel repair -w . cantera*.whl

README.md

@@ -1,6 +1,6 @@
-'manylinux' Docker images are used to build Python extension modules compatible with many popular Linux distributions. This repository builds several dependencies on top of the standard manylinux images, for using in building Cantera.
+'manylinux' Docker images are used to build Python extension modules compatible with many popular Linux distributions. This repository builds several dependencies on top of the standard manylinux images, for use in building Cantera.
 
-Images are published on GitHub container registry:
+Images are published on the GitHub container registry:
 
-- [manylinux_2_28_x86_64-hdf5-boost](https://github.com/orgs/cantera/packages/container/package/manylinux_2_28_x86_64-hdf5-boost).
-- [manylinux_2_28_aarch64-hdf5-boost](https://github.com/orgs/cantera/packages/container/package/manylinux_2_28_aarch64-hdf5-boost).
+- [cantera-base-manylinux_2_28-x86_64](https://github.com/orgs/cantera/packages/container/package/manylinux_2_28_x86_64-hdf5-boost).
+- [cantera-base-manylinux_2_28-aarch64](https://github.com/orgs/cantera/packages/container/package/manylinux_2_28_aarch64-hdf5-boost).