Update Atlantis and Blackpearl site configs (#1277)

Update Atlantis site config: add oneapi setup and configure gcc compiler needed for intel and oneapi.

Update Blackpearl site config: add aocc setup.

Unrelated update of spack submodule pointer to include a bug fix for building [email protected] +ui (JCSDA/spack#469)

configs/sites/tier1/atlantis/compilers.yaml

@@ -12,8 +12,46 @@ compilers:
     modules:
     - intel-oneapi
     - compiler/2022.1.0
-    environment: 
+    environment:
       prepend_path:
-        LD_LIBRARY_PATH: /cm/shared/apps/intel/oneapi/compiler/2022.1.0/linux/compiler/lib/intel64_lin
+        PATH: /cm/local/apps/gcc/11.2.0/bin
+        CPATH: /cm/local/apps/gcc/11.2.0/include
+        LD_LIBRARY_PATH: /cm/shared/apps/slurm/21.08.8/lib64:/cm/shared/apps/intel/oneapi/compiler/2022.1.0/linux/compiler/lib/intel64_lin
+    extra_rpaths: []
+- compiler:
+    spec: [email protected]
+    paths:
+      cc: /cm/local/apps/gcc/11.2.0/bin/gcc
+      cxx: /cm/local/apps/gcc/11.2.0/bin/g++
+      f77: /cm/local/apps/gcc/11.2.0/bin/gfortran
+      fc: /cm/local/apps/gcc/11.2.0/bin/gfortran
+    flags: {}
+    operating_system: rhel8
+    target: x86_64
+    modules:
+    - gcc/11.2.0
+    environment: {}
+    extra_rpaths: []
+- compiler:
+    spec: [email protected]
+    paths:
+      cc: /cm/shared/apps/intel/oneapi-2024.2.1/compiler/2024.2/bin/icx
+      cxx: /cm/shared/apps/intel/oneapi-2024.2.1/compiler/2024.2/bin/icpx
+      f77: /cm/shared/apps/intel/oneapi-2024.2.1/compiler/2024.2/bin/ifort
+      fc: /cm/shared/apps/intel/oneapi-2024.2.1/compiler/2024.2/bin/ifort
+    flags: {}
+    operating_system: rhel8
+    target: x86_64
+    modules:
+    - intel-oneapi-2024.2.1
+    - compiler-rt/2024.2.1
+    - compiler/2024.2.1
+    environment:
+      prepend_path:
+        PATH: /cm/local/apps/gcc/11.2.0/bin
+        CPATH: /cm/local/apps/gcc/11.2.0/include
+        LD_LIBRARY_PATH: /cm/shared/apps/slurm/21.08.8/lib64:/cm/shared/apps/slurm/21.08.8/lib64/slurm:/cm/shared/apps/intel/oneapi-2024.2.1/compiler/2024
+      append_path:
+        CPATH: /cm/shared/apps/intel/oneapi-2024.2.1/compiler/2024.2/opt/compiler/include/intel64/
     extra_rpaths: []
 # Todo: Define gcc compiler (default for Atlantis) for Intel (ecflow)

configs/sites/tier1/atlantis/packages.yaml

@@ -1,46 +1,4 @@
 packages:
-  all:
-    compiler:: [[email protected]] # todo: add gcc here
-    providers:
-      mpi:: [[email protected]]
-
-### MPI, Python, MKL
-  mpi:
-    buildable: False
-  intel-oneapi-mpi:
-    externals:
-    - spec: [email protected]%[email protected]
-      prefix: /cm/shared/apps/intel/oneapi
-      modules:
-      - mpi/2021.6.0
-      - slurm
-  intel-oneapi-mkl:
-    externals:
-    - spec: [email protected]
-      modules:
-      -  mkl/2022.1.0
-      prefix: /cm/shared/apps/intel/oneapi
-  intel-oneapi-ipp:
-    externals:
-    - spec: [email protected]
-      modules:
-      - intel_ipp_intel64/2021.6.0
-      prefix: /cm/shared/apps/intel/oneapi
-  intel-oneapi-tbb:
-    externals:
-    - spec: [email protected]
-      modules:
-      - tbb/2021.6.0
-      prefix: /cm/shared/apps/intel/oneapi
-  #python:
-  #  buildable: False
-  #  externals:
-  #  - spec: [email protected]
-  #    modules:
-  #    - python39
-  #    prefix: /cm/local/apps/python39
-
-### All other external packages listed alphabetically
   curl:
     externals:
     - spec: [email protected]

configs/sites/tier1/atlantis/packages_intel.yaml

@@ -0,0 +1,20 @@
+packages:
+  all:
+    compiler:: [[email protected],[email protected]]
+    providers:
+      mpi:: [[email protected]]
+  mpi:
+    buildable: False
+  intel-oneapi-mpi:
+    externals:
+    - spec: [email protected]%[email protected]
+      prefix: /cm/shared/apps/intel/oneapi
+      modules:
+      - mpi/2021.6.0
+      - slurm
+  intel-oneapi-mkl:
+    externals:
+    - spec: [email protected]
+      modules:
+      -  mkl/2022.1.0
+      prefix: /cm/shared/apps/intel/oneapi

configs/sites/tier1/atlantis/packages_oneapi.yaml

@@ -0,0 +1,26 @@
+packages:
+  all:
+    compiler:: [[email protected],[email protected]]
+    providers:
+      mpi:: [[email protected]]
+  mpi:
+    buildable: False
+  intel-oneapi-mpi:
+    externals:
+    - spec: [email protected]%2024.2.1
+      prefix: /cm/shared/apps/intel/oneapi-2024.2.1
+      modules:
+      - mpi/2021.13
+      - slurm
+  intel-oneapi-mkl:
+    externals:
+    - spec: [email protected]
+      modules:
+      - mkl/2024.2
+      prefix: /cm/shared/apps/intel/oneapi-2024.2.1
+  intel-oneapi-tbb:
+    externals:
+    - spec: [email protected]
+      prefix: /cm/shared/apps/intel/oneapi-2024.2.1
+      modules:
+      - tbb/2021.13

configs/sites/tier2/blackpearl/compilers.yaml

@@ -56,3 +56,20 @@ compilers:
       append_path:
         CPATH: /opt/intel/oneapi/compiler/2024.1/opt/compiler/include/intel64
     extra_rpaths: []
+- compiler:
+    spec: aocc@=4.2.0
+    paths:
+      cc: /home/dom/prod/aocc-4.2.0/bin/clang
+      cxx: /home/dom/prod/aocc-4.2.0/bin/clang++
+      f77: /home/dom/prod/aocc-4.2.0/bin/flang
+      fc: /home/dom/prod/aocc-4.2.0/bin/flang
+    flags: {}
+    operating_system: oracle9
+    target: x86_64
+    modules:
+    - aocc/4.2.0
+    environment:
+      append_path:
+        # For libquadmath etc
+        LD_LIBRARY_PATH: /usr/lib/gcc/x86_64-redhat-linux/11
+    extra_rpaths: []

configs/sites/tier2/blackpearl/packages_aocc.yaml

@@ -0,0 +1,5 @@
+packages:
+  all:
+    compiler:: [[email protected]]
+    providers:
+      mpi:: [[email protected]]