WIP - IGNORE - Feature/oneapi

.gitmodules

@@ -1,9 +1,11 @@
 [submodule "spack"]
   path = spack
-  #url = https://github.com/spack/spack
-  #branch = develop
-  url = https://github.com/jcsda/spack
-  branch = jcsda_emc_spack_stack
+  ##url = https://github.com/spack/spack
+  ##branch = develop
+  #url = https://github.com/jcsda/spack
+  #branch = jcsda_emc_spack_stack
+  url = https://github.com/climbfuji/spack
+  branch = feature/oneapi
 [submodule "doc/CMakeModules"]
   path = doc/CMakeModules
   url = https://github.com/noaa-emc/cmakemodules

configs/common/packages.yaml

@@ -227,9 +227,6 @@
     # README.md
     #py-mysql-connector-python:
     #  version: ['8.0.32']
-    py-netcdf4:
-      version: ['1.5.8']
-      variants: ~mpi
     py-numpy:
       require: ['@1.22.3']
     py-pandas:

configs/sites/aws-pcluster/compilers.yaml

@@ -1,50 +1,38 @@
 compilers:
 - compiler:
-    spec: intel@=2021.6.0
+    spec: oneapi@2024.0.2
     paths:
-      cc: /opt/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/icc
-      cxx: /opt/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/icpc
-      f77: /opt/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/ifort
-      fc: /opt/intel/oneapi/compiler/2022.1.0/linux/bin/intel64/ifort
-    flags: {}
-    operating_system: ubuntu20.04
+      cc: /opt/intel/oneapi/compiler/2024.0/bin/icx
+      cxx: /opt/intel/oneapi/compiler/2024.0/bin/icpx
+      f77: /opt/intel/oneapi/compiler/2024.0/bin/ifx
+      fc: /opt/intel/oneapi/compiler/2024.0/bin/ifx
+    flags:
+      cflags: --gcc-install-dir=/usr/lib/gcc/x86_64-linux-gnu/11
+      cxxflags: --gcc-install-dir=/usr/lib/gcc/x86_64-linux-gnu/11
+      # not sure this works/is needed fflags: --gcc-install-dir=/usr/lib/gcc/x86_64-linux-gnu/11
+      # with ifort, need this for fflags: fflags: -diag-disable=10448
+    operating_system: ubuntu22.04
     target: x86_64
-    modules: []
+    modules:
+    - tbb/2021.11
+    - compiler-rt/2024.0.2
+    - oclfpga/2024.0.0
+    - compiler/2024.0.2
+    - ifort/2024.0.2
     environment:
-      prepend_path:
-        LD_LIBRARY_PATH: '/opt/intel/oneapi/compiler/2022.1.0/linux/compiler/lib/intel64_lin'
       set:
         I_MPI_PMI_LIBRARY: '/opt/slurm/lib/libpmi.so'
+        I_MPI_EXTRA_FILESYSTEM: 'ON'
     extra_rpaths: []
-#- compiler:
-#    spec: oneapi@2024.0.2
-#    paths:
-#      cc: /mnt/experiments-efs/intel-oneapi-2024.0.2/compiler/2024.0/bin/icx
-#      cxx: /mnt/experiments-efs/intel-oneapi-2024.0.2/compiler/2024.0/bin/icpx
-#      f77: /mnt/experiments-efs/intel-oneapi-2024.0.2/compiler/2024.0/bin/ifort
-#      fc: /mnt/experiments-efs/intel-oneapi-2024.0.2/compiler/2024.0/bin/ifort
-#    flags: {}
-#    operating_system: ubuntu20.04
-#    target: x86_64
-#    modules:
-#    - tbb/2021.11
-#    - compiler-rt/2024.0.2
-#    - oclfpga/2024.0.0
-#    - compiler/2024.0.2
-#    - ifort/2024.0.2
-#    environment:
-#      set:
-#        I_MPI_PMI_LIBRARY: '/opt/slurm/lib/libpmi.so'
-#    extra_rpaths: []
 - compiler:
-    spec: gcc@9.4.0
+    spec: gcc@11.4.0
     paths:
       cc: /usr/bin/gcc
       cxx: /usr/bin/g++
       f77: /usr/bin/gfortran
       fc: /usr/bin/gfortran
     flags: {}
-    operating_system: ubuntu20.04
+    operating_system: ubuntu22.04
     target: x86_64
     modules: []
     environment: {}

configs/sites/aws-pcluster/packages.yaml

@@ -1,35 +1,26 @@
 packages:
   all:
-    compiler: [intel@2021.6.0, gcc@9.4.0]
-    #compiler: [oneapi@2024.0.2]
+    compiler: [oneapi@2024.0.2, gcc@11.4.0]
     providers:
-      mpi: [intel-oneapi-mpi@2021.6.0, openmpi@4.1.4]
-      #mpi: [intel-oneapi-mpi@2021.11]
+      mpi: [intel-oneapi-mpi@2021.11, openmpi@4.1.6]
 
 ### MPI, Python, MKL
   mpi:
     buildable: false
   intel-oneapi-mpi:
     externals:
-    - spec: intel-oneapi-mpi@2021.6.0%intel@2021.6.0
-      prefix: /opt/intel
+    - spec: intel-oneapi-mpi@2021.11%oneapi@2024.0.2
+      prefix: /opt/intel/oneapi
       modules:
-      - libfabric-aws/1.16.0~amzn4.0
-      - intelmpi
-    #externals:
-    #- spec: intel-oneapi-mpi@2021.11%oneapi@2024.0.2
-    #  prefix: /mnt/experiments-efs/intel-oneapi-2024.0.2
-    #  modules:
-    #  - libfabric-aws/1.16.0~amzn4.0
-    #  - mpi/2021.11
+      - libfabric-aws/1.19.0amzn4.0
+      - mpi/2021.11
   openmpi:
     externals:
-    - spec: openmpi@4.1.4%gcc@9.4.0~cuda~cxx~cxx_exceptions~java~memchecker+pmi~static~wrapper-rpath
+    - spec: openmpi@4.1.6%gcc@11.4.0~cuda~cxx~cxx_exceptions~java~memchecker+pmi~static~wrapper-rpath
         fabrics=ofi schedulers=slurm
-      prefix: /opt/amazon/openmpi
       modules:
-      - libfabric-aws/1.16.0~amzn4.0
-      - openmpi/4.1.4
+      - libfabric-aws/1.19.0amzn4.0
+      - openmpi/4.1.6
 
 ### Modification of common packages
 
@@ -40,52 +31,43 @@ packages:
 ### All other external packages listed alphabetically
   autoconf:
     externals:
-    - spec: autoconf@2.69
+    - spec: autoconf@2.71
       prefix: /usr
   automake:
     externals:
-    - spec: automake@1.16.1
+    - spec: automake@1.16.5
       prefix: /usr
   binutils:
     externals:
-    - spec: binutils@2.34
+    - spec: binutils@2.38
       prefix: /usr
   coreutils:
     externals:
-    - spec: coreutils@8.30
+    - spec: coreutils@8.32
       prefix: /usr
   diffutils:
     externals:
-    - spec: diffutils@3.7
+    - spec: diffutils@3.8
       prefix: /usr
-  ecflow:
-    buildable: False
-    externals:
-    - spec: ecflow@5.8.4+ui+static_boost
-      prefix: /home/ubuntu/jedi/ecflow-5.8.4
   findutils:
     externals:
-    - spec: findutils@4.7.0
+    - spec: findutils@4.8.0
       prefix: /usr
   flex:
     externals:
     - spec: flex@2.6.4+lex
       prefix: /usr
   gawk:
     externals:
-    - spec: gawk@5.0.1
+    - spec: gawk@5.1.0
       prefix: /usr
   git:
     externals:
-    - spec: git@2.25.1~tcltk
+    - spec: git@2.34.1~tcltk
       prefix: /usr
   git-lfs:
     externals:
-    - spec: git-lfs@2.9.2
-      prefix: /usr
-  gmake:
-    externals:
-    - spec: gmake@4.2.1
+    - spec: git-lfs@3.0.2
       prefix: /usr
   groff:
     externals:
@@ -102,38 +84,34 @@ packages:
   mysql:
     buildable: False
     externals:
-    - spec: mysql@8.0.32
-      prefix: /usr
-  perl:
-    externals:
-    - spec: perl@5.30.0~cpanm+shared+threads
+    - spec: mysql@8.0.35
       prefix: /usr
   pkg-config:
     externals:
-    - spec: pkg-config@0.29.1
+    - spec: pkg-config@0.29.2
       prefix: /usr
   qt:
     buildable: false
     externals:
-    - spec: qt@5.12.8
+    - spec: qt@5.15.3
       prefix: /usr
   sed:
     externals:
-    - spec: sed@4.7
+    - spec: sed@4.8
       prefix: /usr
   tar:
     externals:
-    - spec: tar@1.30
+    - spec: tar@1.34
       prefix: /usr
   texinfo:
     externals:
-    - spec: texinfo@6.7
+    - spec: texinfo@6.8
       prefix: /usr
   texlive:
     externals:
-    - spec: texlive@20190410
+    - spec: texlive@20220204
       prefix: /usr
   wget:
     externals:
-    - spec: wget@1.20.3
+    - spec: wget@1.21.1
       prefix: /usr

configs/templates/unified-dev/spack.yaml

@@ -45,3 +45,6 @@ spack:
         - ai-env%intel
         # jedi-tools doesn't build with Intel
         - jedi-tools-env%intel
+        # wgrib2 in global-workflow-env/ufs-srw-app-env doesn't build with Intel oneAPI
+        - global-workflow-env%oneapi
+        - ufs-srw-app-env%oneapi

doc/source/NewSiteConfigs.rst

@@ -15,9 +15,9 @@ It is also instructive to peruse the GitHub actions scripts in ``.github/workflo
 +===========================================+======================================================================+===========================+
 | Intel classic (icc, icpc, ifort)          | 2021.3.0 to the latest available version in oneAPI 2023.1.0          | ``intel@``                |
 +-------------------------------------------+----------------------------------------------------------------------+---------------------------+
-| Intel mixed (icx, icpx, ifort)            | all versions up to latest available version in oneAPI 2023.1.0       | ``intel@``                |
+| Intel mixed (icx, icpx, ifort)            | 2024.0 to the latest available version in oneAPI 2024.0.2            | ``oneapi@``               |
 +-------------------------------------------+----------------------------------------------------------------------+---------------------------+
-| GNU (gcc, g++, gfortran)                  | 9.2.0 to 12.2.0 (note: 13.x.y is **not** yet supported)              | ``gcc@``                  |
+| GNU (gcc, g++, gfortran)                  | 9.2.0 to 12.3.0 (note: 13.x.y is **not** yet supported)              | ``gcc@``                  |
 +-------------------------------------------+----------------------------------------------------------------------+---------------------------+
 | Apple clang (clang, clang++, w/ gfortran) | 13.1.6 to 15.0.0                                                     | ``apple-clang@``          |
 +-------------------------------------------+----------------------------------------------------------------------+---------------------------+

spack-ext/repos/spack-stack/packages/shumlib/package.py

@@ -39,7 +39,7 @@ def build(self, spec, prefix):
             os.system("make -f make/vm-x86-gfortran-clang.mk")
         elif spec.satisfies("%gcc"):
             os.system("make -f make/vm-x86-gfortran-gcc.mk")
-        elif spec.satisfies("%intel"):
+        elif spec.satisfies("%intel") or spec.satisfies("%oneapi"):
             os.system("make -f make/vm-x86-ifort-icc.mk")
         else:
             raise InstallError("No shumlib make config for this compiler")