release/1.9.0: Update site config for Derecho

configs/sites/tier1/derecho/compilers.yaml

@@ -1,22 +1,22 @@
 compilers::
 - compiler:
-    spec: intel@2021.10.0
+    spec: oneapi@2024.2.1
     paths:
-      cc: /glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2023.2.1/compiler/2023.2.1/linux/bin/intel64/icc
-      cxx: /glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2023.2.1/compiler/2023.2.1/linux/bin/intel64/icpc
-      f77: /glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2023.2.1/compiler/2023.2.1/linux/bin/intel64/ifort
-      fc: /glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2023.2.1/compiler/2023.2.1/linux/bin/intel64/ifort
+      cc: /glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2024.2.1/compiler/2024.2/bin/icx
+      cxx: /glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2024.2.1/compiler/2024.2/bin/icpx
+      f77: /glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2024.2.1/compiler/2024.2/bin/ifort
+      fc: /glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2024.2.1/compiler/2024.2/bin/ifort
     flags: {}
     operating_system: sles15
     target: x86_64
     modules:
     - ncarenv/23.09
-    - intel-classic/2023.2.1
+    - intel-oneapi/2024.2.1
     environment:
       prepend_path:
-        PATH: '/opt/cray/pe/gcc/11.2.0/snos/bin'
-        CPATH: '/opt/cray/pe/gcc/11.2.0/snos/include'
-        LD_LIBRARY_PATH: '/glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2023.2.1/compiler/2023.2.1/linux/compiler/lib/intel64_lin:/opt/cray/pe/gcc/11.2.0/snos/lib:/opt/cray/pe/gcc/11.2.0/snos/lib64'
+        PATH: '/opt/cray/pe/gcc/12.2.0/snos/bin'
+        CPATH: '/opt/cray/pe/gcc/12.2.0/snos/include'
+        LD_LIBRARY_PATH: '/opt/cray/pe/gcc/12.2.0/snos/lib:/opt/cray/pe/gcc/12.2.0/snos/lib64'
       set:
         # https://github.com/JCSDA/spack-stack/issues/957
         FI_CXI_RX_MATCH_MODE: 'hybrid'
@@ -41,23 +41,3 @@ compilers::
         # https://github.com/JCSDA/spack-stack/issues/957
         FI_CXI_RX_MATCH_MODE: 'hybrid'
     extra_rpaths: []
-# Needed for intel
-- compiler:
-    spec: gcc@11.2.0
-    paths:
-      cc: /opt/cray/pe/gcc/11.2.0/bin/gcc
-      cxx: /opt/cray/pe/gcc/11.2.0/bin/g++
-      f77: /opt/cray/pe/gcc/11.2.0/bin/gfortran
-      fc: /opt/cray/pe/gcc/11.2.0/bin/gfortran
-    flags: {}
-    operating_system: sles15
-    target: x86_64
-    modules:
-    - ncarenv/23.09
-    - gcc/11.2.0
-    environment:
-      set:
-        # https://github.com/JCSDA/spack-stack/issues/957
-        FI_CXI_RX_MATCH_MODE: 'hybrid'
-    extra_rpaths: []
-

configs/sites/tier1/derecho/packages.yaml

@@ -7,11 +7,6 @@ packages:
   esmf:
     require:
     - 'esmf_os=Linux esmf_comm=mpich'
-  # py-scipy 1.12 does not build with intel on Derecho, pin to 1.11.4
-  # use same version with gcc for consistency on the machine
-  py-scipy:
-    require:
-    - '@1.11.4'
 
 ### All other external packages listed alphabetically
   autoconf:

configs/sites/tier1/derecho/packages_gcc.yaml

@@ -2,14 +2,14 @@ packages:
   all:
     compiler:: [gcc@12.2.0]
     providers:
-      mpi:: [cray-mpich@8.1.25]
+      mpi:: [cray-mpich@8.1.27]
   mpi:
     buildable: False
   cray-mpich:
     externals:
-    - spec: cray-mpich@8.1.25%gcc@12.2.0 +wrappers
+    - spec: cray-mpich@8.1.27%gcc@12.2.0 +wrappers
       modules:
       - craype/2.7.20
-      - cray-mpich/8.1.25
+      - cray-mpich/8.1.27
       - libfabric/1.15.2.0
       - cray-pals/1.2.11

configs/sites/tier1/derecho/packages_oneapi.yaml

@@ -0,0 +1,25 @@
+packages:
+  all:
+    compiler:: [oneapi@2024.2.1, gcc@12.2.0]
+    providers:
+      mpi:: [cray-mpich@8.1.29]
+  mpi:
+    buildable: False
+  cray-mpich:
+    externals:
+    - spec: cray-mpich@8.1.29%oneapi@2024.2.1 +wrappers
+      modules:
+      - craype/2.7.20
+      - cray-mpich/8.1.29
+      - libfabric/1.15.2.0
+      - cray-pals/1.2.11
+  intel-oneapi-runtime:
+    buildable: False
+    externals:
+    - spec: intel-oneapi-runtime@2024.2.1%oneapi@2024.2.1
+      prefix: /glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2024.2.1
+  intel-oneapi-mkl:
+    # No intel-oneapi-mkl installed on Derecho, install via spack.
+    # Prefer the version that Intel releases with the above compiler
+    prefer:
+    - '@2024.2'