Add NVidia compiler support and CI (#3686)

8 files changed, 186 insertions, 123 deletions

diff --git a/.github/workflows/autotools.yml b/.github/workflows/autotools.yml
index 89afa40..d0cf557 100644
--- a/.github/workflows/autotools.yml
+++ b/.github/workflows/autotools.yml
@@ -52,3 +52,9 @@ jobs:
       uses: ./.github/workflows/intel-auto.yml
       with:
             build_mode: "production"
+
+    call-release-auto-nvhpc:
+      name: "Autotools nvhpc Workflows"
+      uses: ./.github/workflows/nvhpc-auto.yml
+      with:
+            build_mode: "production"
diff --git a/.github/workflows/cmake.yml b/.github/workflows/cmake.yml
index 75180c0..84fe010 100644
--- a/.github/workflows/cmake.yml
+++ b/.github/workflows/cmake.yml
@@ -44,3 +44,9 @@ jobs:
         uses: ./.github/workflows/intel-cmake.yml
         with:
             build_mode: "Release"
+
+    call-release-cmake-nvhpc:
+        name: "CMake nvhpc Workflows"
+        uses: ./.github/workflows/nvhpc-cmake.yml
+        with:
+            build_mode: "Release"
diff --git a/.github/workflows/intel-auto.yml b/.github/workflows/intel-auto.yml
index f5249bd..d63262f 100644
--- a/.github/workflows/intel-auto.yml
+++ b/.github/workflows/intel-auto.yml
@@ -13,14 +13,16 @@ permissions:
 
 jobs:
   Intel_build_and_test:
-    name: "Intel ${{ inputs.build_mode }} -Werror (build only)"
+    name: "Intel ${{ inputs.build_mode }}"
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v4
+
       - name: Install Dependencies
-        run:  |
+        run: |
           sudo apt-get update
           sudo apt-get install autoconf automake libtool libtool-bin libaec-dev
+
       - name: Add oneAPI to apt
         shell: bash
         run: |
@@ -39,9 +41,9 @@ jobs:
           sudo apt install -y intel-oneapi-mpi-devel
           sudo apt-get install doxygen graphviz
           sudo apt install libssl3 libssl-dev libcurl4 libcurl4-openssl-dev
-           echo "CC=icx" >> $GITHUB_ENV
-           echo "CXX=icpx" >> $GITHUB_ENV
-           echo "FC=ifx" >> $GITHUB_ENV
+          echo "CC=icx" >> $GITHUB_ENV
+          echo "CXX=icpx" >> $GITHUB_ENV
+          echo "FC=ifx" >> $GITHUB_ENV
 
       - name: Install oneAPI MKL library
         shell: bash
diff --git a/.github/workflows/intel-cmake.yml b/.github/workflows/intel-cmake.yml
index 4bdda03..9972376 100644
--- a/.github/workflows/intel-cmake.yml
+++ b/.github/workflows/intel-cmake.yml
@@ -14,7 +14,7 @@ permissions:
 
 jobs:
   Intel_build_and_test:
-    name: "Intel ${{ inputs.build_mode }} -Werror (build only)"
+    name: "Intel ${{ inputs.build_mode }}"
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v4
@@ -30,9 +30,9 @@ jobs:
 
       - name: Install Linux Dependencies
         run: |
-           sudo apt update
-           sudo apt-get install ninja-build doxygen graphviz
-           sudo apt install libssl3 libssl-dev libcurl4 libcurl4-openssl-dev
+          sudo apt update
+          sudo apt-get install ninja-build doxygen graphviz
+          sudo apt install libssl3 libssl-dev libcurl4 libcurl4-openssl-dev
 
       - name: install oneAPI dpcpp and fortran compiler
         shell: bash
diff --git a/.github/workflows/linux-nvhpc-auto.yml b/.github/workflows/linux-nvhpc-auto.yml
deleted file mode 100644
index 1281e97..0000000
--- a/.github/workflows/linux-nvhpc-auto.yml
+++ /dev/null
@@ -1,58 +0,0 @@
-name: linux autotools nvhpc
-
-on:
-  workflow_dispatch:
-  push:
-  pull_request:
-    branches: [ develop ]
-    paths-ignore:
-      - '.github/CODEOWNERS'
-      - '.github/FUNDING.yml'
-      - 'doc/**'
-      - 'release_docs/**'
-      - 'ACKNOWLEDGEMENTS'
-      - 'COPYING**'
-      - '**.md'
-
-# Using concurrency to cancel any in-progress job or run
-concurrency:
-  group: ${{ github.workflow }}-${{ github.sha || github.event.pull_request.number }}
-  cancel-in-progress: true
-
-permissions:
-  contents: read
-
-jobs:
-  build:
-    runs-on: ubuntu-latest
-    steps:
-      - name: Install System dependencies
-        run: |
-          sudo apt update
-          sudo apt install -y libaec-dev zlib1g-dev automake autoconf libcurl4-openssl-dev libjpeg-dev wget curl bzip2 m4 flex bison cmake libzip-dev doxygen openssl libtool libtool-bin build-essential
-      - name: Install NVHPC
-        run: |          
-          curl https://developer.download.nvidia.com/hpc-sdk/ubuntu/DEB-GPG-KEY-NVIDIA-HPC-SDK | sudo gpg --dearmor -o /usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg
-          echo 'deb [signed-by=/usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg] https://developer.download.nvidia.com/hpc-sdk/ubuntu/amd64 /' | sudo tee /etc/apt/sources.list.d/nvhpc.list
-          sudo apt-get update -y
-          sudo apt-get install -y nvhpc-23-7          
-      - name: Get Sources
-        uses: actions/checkout@v4
-      - name: Test HDF5
-        env:
-          NPROCS: 2      
-        run: |
-          export NVHPCSDK=/opt/nvidia/hpc_sdk
-          export OMPI_CXX=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvc++
-          export OMPI_CC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvc
-          export OMPI_FC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvfortran
-          export LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/lib
-          export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin:$PATH
-          export DESTDIR=/tmp          
-          ./autogen.sh
-          ./configure CC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin/mpicc FC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin/mpifort FCFLAGS="-fPIC -fortranlibs" --enable-fortran --enable-shared --enable-parallel          
-          cat config.log
-          make -j
-          make check -j
-          make install
-          make uninstall
diff --git a/.github/workflows/linux-nvhpc.yml b/.github/workflows/linux-nvhpc.yml
deleted file mode 100644
index 06fd40a..0000000
--- a/.github/workflows/linux-nvhpc.yml
+++ /dev/null
@@ -1,56 +0,0 @@
-name: linux CMake nvhpc
-
-on:
-  workflow_dispatch:
-  push:
-  pull_request:
-    branches: [ develop ]
-    paths-ignore:
-      - '.github/CODEOWNERS'
-      - '.github/FUNDING.yml'
-      - 'doc/**'
-      - 'release_docs/**'
-      - 'ACKNOWLEDGEMENTS'
-      - 'COPYING**'
-      - '**.md'
-
-# Using concurrency to cancel any in-progress job or run
-concurrency:
-  group: ${{ github.workflow }}-${{ github.sha || github.event.pull_request.number }}
-  cancel-in-progress: true
-
-permissions:
-  contents: read
-
-jobs:
-  build:
-    runs-on: ubuntu-latest
-    steps:
-      - name: Install System dependencies
-        run: |
-          sudo apt update
-          sudo apt install -y libaec-dev zlib1g-dev automake autoconf libcurl4-openssl-dev libjpeg-dev wget curl bzip2 m4 flex bison cmake libzip-dev doxygen openssl libtool libtool-bin build-essential
-      - name: Install NVHPC
-        run: |          
-          curl https://developer.download.nvidia.com/hpc-sdk/ubuntu/DEB-GPG-KEY-NVIDIA-HPC-SDK | sudo gpg --dearmor -o /usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg
-          echo 'deb [signed-by=/usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg] https://developer.download.nvidia.com/hpc-sdk/ubuntu/amd64 /' | sudo tee /etc/apt/sources.list.d/nvhpc.list
-          sudo apt-get update -y
-          sudo apt-get install -y nvhpc-23-7          
-      - name: Get Sources
-        uses: actions/checkout@v4
-      - name: Test HDF5
-        env:
-          FC: nvfortran
-          CC: nvc
-          FCFLAGS: -fPIC
-        run: |
-          export NVHPCSDK=/opt/nvidia/hpc_sdk
-          export OMPI_CXX=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvc++
-          export OMPI_CC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvc
-          export OMPI_FC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvfortran
-          export LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/cuda/12.2/lib64:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/lib
-          export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin:$PATH        
-          cmake -B build  -DHDF5_ENABLE_SZIP_SUPPORT:BOOL=OFF -DHDF5_ENABLE_PARALLEL:BOOL=ON -DHDF5_BUILD_FORTRAN:BOOL=ON
-          cat build/CMakeCache.txt
-          cmake --build build
-          ctest --test-dir build --output-on-failure        
diff --git a/.github/workflows/nvhpc-auto.yml b/.github/workflows/nvhpc-auto.yml
new file mode 100644
index 0000000..3e3a323
--- /dev/null
+++ b/.github/workflows/nvhpc-auto.yml
@@ -0,0 +1,87 @@
+name: hdf5 dev autotools nvhpc
+
+on:
+  workflow_call:
+    inputs:
+      build_mode:
+        description: "release vs. debug build"
+        required: true
+        type: string
+
+permissions:
+  contents: read
+
+jobs:
+  nvhpc_build_and_test:
+    name: "nvhpc ${{ inputs.build_mode }}"
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Install Dependencies
+        run: |
+          sudo apt-get update
+          sudo apt-get install autoconf automake libtool libtool-bin libaec-dev
+          sudo apt-get install doxygen graphviz
+          sudo apt install -y zlib1g-dev libcurl4-openssl-dev libjpeg-dev wget curl bzip2 m4 flex bison cmake libzip-dev openssl build-essential
+
+      - name: Install NVHPC
+        shell: bash
+        run: |          
+          curl https://developer.download.nvidia.com/hpc-sdk/ubuntu/DEB-GPG-KEY-NVIDIA-HPC-SDK | sudo gpg --dearmor -o /usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg
+          echo 'deb [signed-by=/usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg] https://developer.download.nvidia.com/hpc-sdk/ubuntu/amd64 /' | sudo tee /etc/apt/sources.list.d/nvhpc.list
+          sudo apt-get update -y
+          sudo apt-get install -y nvhpc-23-7          
+          echo "CC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin/mpicc" >> $GITHUB_ENV
+          echo "FC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin/mpifort" >> $GITHUB_ENV
+          echo "NVHPCSDK=/opt/nvidia/hpc_sdk" >> $GITHUB_ENV
+          echo "OMPI_CXX=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvc++" >> $GITHUB_ENV
+          echo "OMPI_CC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvc" >> $GITHUB_ENV
+          echo "OMPI_FC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvfortran" >> $GITHUB_ENV
+          echo "LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/lib" >> $GITHUB_ENV
+          echo "DESTDIR=/tmp" >> $GITHUB_ENV
+
+      - name: Autotools Configure
+        shell: bash
+        run: |
+          export RUNPARALLEL="mpiexec -np 2"
+          export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin:$PATH
+          sh ./autogen.sh
+          mkdir "${{ runner.workspace }}/build"
+          cd "${{ runner.workspace }}/build"
+          $GITHUB_WORKSPACE/configure \
+            FCFLAGS="-fPIC -fortranlibs" \
+            --enable-build-mode=${{ inputs.build_mode }} \
+            --enable-fortran \
+            --enable-shared \
+            --enable-parallel
+          #cat config.log
+
+      # BUILD
+      - name: Autotools Build
+        shell: bash
+        run: |
+          export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin:$PATH
+          make -j3
+        working-directory: ${{ runner.workspace }}/build
+
+      # RUN TESTS
+      # NORMAL
+      - name: Autotools Run Tests
+        run: |
+          export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin:$PATH
+          make check -j
+        working-directory: ${{ runner.workspace }}/build
+
+      # INSTALL (note that this runs even when we don't run the tests)
+      - name: Autotools Install
+        run: |
+          export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin:$PATH
+          make install
+        working-directory: ${{ runner.workspace }}/build
+
+#      - name: Autotools Verify Install
+#        run: |
+#          export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin:$PATH
+#          make check-install
+#        working-directory: ${{ runner.workspace }}/build
diff --git a/.github/workflows/nvhpc-cmake.yml b/.github/workflows/nvhpc-cmake.yml
new file mode 100644
index 0000000..489c0bb
--- /dev/null
+++ b/.github/workflows/nvhpc-cmake.yml
@@ -0,0 +1,76 @@
+name: hdf5 dev CMake nvhpc
+
+on:
+  workflow_call:
+    inputs:
+      build_mode:
+        description: "release vs. debug build"
+        required: true
+        type: string
+
+permissions:
+  contents: read
+
+jobs:
+  nvhpc_build_and_test:
+    name: "nvhpc ${{ inputs.build_mode }}"
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Install Linux dependencies
+        shell: bash
+        run: |
+          sudo apt update
+          sudo apt-get install ninja-build doxygen graphviz
+          sudo apt install libssl3 libssl-dev libcurl4 libcurl4-openssl-dev
+          sudo apt install -y libaec-dev zlib1g-dev wget curl bzip2 flex bison cmake libzip-dev openssl build-essential
+
+      - name: Install NVHPC
+        shell: bash
+        run: |          
+          curl https://developer.download.nvidia.com/hpc-sdk/ubuntu/DEB-GPG-KEY-NVIDIA-HPC-SDK | sudo gpg --dearmor -o /usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg
+          echo 'deb [signed-by=/usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg] https://developer.download.nvidia.com/hpc-sdk/ubuntu/amd64 /' | sudo tee /etc/apt/sources.list.d/nvhpc.list
+          sudo apt-get update -y
+          sudo apt-get install -y nvhpc-23-7          
+          echo "CC=nvc" >> $GITHUB_ENV
+          echo "FC=nvfortran" >> $GITHUB_ENV
+          echo "NVHPCSDK=/opt/nvidia/hpc_sdk" >> $GITHUB_ENV
+          echo "OMPI_CXX=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvc++" >> $GITHUB_ENV
+          echo "OMPI_CC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvc" >> $GITHUB_ENV
+          echo "OMPI_FC=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin/nvfortran" >> $GITHUB_ENV
+          echo "LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/cuda/12.2/lib64:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/lib" >> $GITHUB_ENV
+          echo "DESTDIR=/tmp" >> $GITHUB_ENV
+
+      - name: CMake Configure with nvc
+        shell: bash
+        run: |
+          export PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/comm_libs/openmpi4/bin:/opt/nvidia/hpc_sdk/Linux_x86_64/23.7/compilers/bin:$PATH
+          mkdir "${{ runner.workspace }}/build"
+          cd "${{ runner.workspace }}/build"
+          cmake -C $GITHUB_WORKSPACE/config/cmake/cacheinit.cmake -G Ninja \
+          -DCMAKE_BUILD_TYPE=${{ inputs.build_mode }} \
+          -DHDF5_ENABLE_SZIP_SUPPORT:BOOL=OFF \
+          -DHDF5_ENABLE_PARALLEL:BOOL=ON \
+          -DHDF5_BUILD_CPP_LIB:BOOL=OFF \
+          -DLIBAEC_USE_LOCALCONTENT=OFF \
+          -DZLIB_USE_LOCALCONTENT=OFF \
+          -DHDF5_BUILD_FORTRAN:BOOL=ON \
+          -DHDF5_ENABLE_ASSERTS:BOOL=ON \
+          -DMPIEXEC_MAX_NUMPROCS:STRING="2" \
+          $GITHUB_WORKSPACE
+          cat src/libhdf5.settings
+
+      # BUILD
+      - name: CMake Build
+        shell: bash
+        run: |
+          cmake --build . --parallel 3 --config ${{ inputs.build_mode }}
+        working-directory: ${{ runner.workspace }}/build
+
+      # RUN TESTS
+#      - name: CMake Run Tests
+#        shell: bash
+#        run: |
+#          ctest . --parallel 2 -C ${{ inputs.build_mode }} -V
+#        working-directory: ${{ runner.workspace }}/build