By default, use MKL as virtual provider for blas/lapack/fftw with Int…

…el compilers (classic and llvm-based/oneapi); update site configs to revert to openblas/fftw as needed; skip wgrib2 with Intel oneapi; bump odc to 1.5.2 (#1226)

1. Split configs/common/packages.yaml into a compiler-independent configs/common/packages.yaml and compiler-dependent configs/common/packages_${COMPILER}.yaml; use openblas and fftw as virtual providers for blas, lapack, fftw-api with gnu@ and apple-clang@; use intel-oneapi-mkl with intel@ and oneapi@.

2. Site config updates for all sites: split packages.yaml into packages_${COMPILER}.yaml and add Intel MKL as external package for intel@ and oneapi@ compilers. Please follow the examples for blackpearl, narwhal, nautilus. Note that updating the site config does not imply testing the update (see section "Testing" below for which tests where done).

3. Update 2024/08/09: Certain site configs were modified to by default retain the openblas/fftw configuration with Intel - see list below. Steps to switch to the new default MKL configuration are documented in each site's packages_*.yaml.

4. Unrelated change but needed for gcc@13 support: bump odc from 1.4.6 to 1.5.2.

.github/workflows/ubuntu-ci-x86_64-intel.yaml

@@ -96,6 +96,17 @@ jobs:
           echo "    - spec: intel-oneapi-mpi@2021.10.0%intel@2021.10.0" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
           echo "      prefix: /opt/intel/oneapi" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
 
+          # Add external Intel MKL and oneAPI runtime
+          echo "" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
+          echo "  intel-oneapi-mkl:" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
+          echo "    externals:" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
+          echo "    - spec: intel-oneapi-mkl@2023.2.0%intel@2021.10.0" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
+          echo "      prefix: /opt/intel/oneapi" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
+          #echo "  intel-oneapi-runtime:" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
+          #echo "    externals:" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
+          #echo "    - spec: intel-oneapi-runtime@2023.2.0%oneapi@2024.2.0" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
+          #echo "      prefix: /opt/intel/oneapi" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
+
           # Add external ecflow for Intel
           echo "" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml
           echo "  ecflow::" >> ${SPACK_SYSTEM_CONFIG_PATH}/packages.yaml

.github/workflows/ubuntu-ci-x86_64-oneapi.yaml

@@ -84,8 +84,6 @@ jobs:
           echo "    target: x86_64" >> ${SPACK_SYSTEM_CONFIG_PATH}/compilers.yaml
           echo "    modules: []" >> ${SPACK_SYSTEM_CONFIG_PATH}/compilers.yaml
           echo "    environment: {}" >> ${SPACK_SYSTEM_CONFIG_PATH}/compilers.yaml
-          echo "      #prepend_path:" >> ${SPACK_SYSTEM_CONFIG_PATH}/compilers.yaml
-          echo "      #  LD_LIBRARY_PATH: '/opt/intel/oneapi/compiler/2023.2.3/linux/compiler/lib/intel64_lin'" >> ${SPACK_SYSTEM_CONFIG_PATH}/compilers.yaml
           echo "    extra_rpaths: []" >> ${SPACK_SYSTEM_CONFIG_PATH}/compilers.yaml
 
           # Need to find external Intel MPI and annotate with the