Update Spack

configs/aurora/packages.yaml

@@ -1,13 +1,41 @@
 packages:
+  intel-oneapi-compilers:
+    externals:
+      - spec: intel-oneapi-compilers@2025.0.5
+        prefix: /opt/aurora/24.347.0/oneapi
+        extra_attributes:
+          compilers:
+            c: /opt/aurora/24.347.0/oneapi/compiler/2025.0/bin/icx
+            cxx: /opt/aurora/24.347.0/oneapi/compiler/2025.0/bin/icpx
+            fortran: /opt/aurora/24.347.0/oneapi/compiler/2025.0/bin/ifx
+        modules: [oneapi/release/2025.0.5]
+  gcc:
+    externals:
+      - spec: gcc@13.3.0
+        prefix: /opt/aurora/24.347.0/spack/unified/0.9.2/install/linux-sles15-x86_64/gcc-13.3.0/gcc-13.3.0-4enwbrb
+        extra_attributes:
+          compilers:
+            c: /opt/aurora/24.347.0/spack/unified/0.9.2/install/linux-sles15-x86_64/gcc-13.3.0/gcc-13.3.0-4enwbrb/bin/gcc
+            cxx: /opt/aurora/24.347.0/spack/unified/0.9.2/install/linux-sles15-x86_64/gcc-13.3.0/gcc-13.3.0-4enwbrb/bin/g++
+            fortran: /opt/aurora/24.347.0/spack/unified/0.9.2/install/linux-sles15-x86_64/gcc-13.3.0/gcc-13.3.0-4enwbrb/bin/gfortran
   mpich:
-    require: "@4.3.0"
+    require: "@develop"
     buildable: false
     externals:
-      - spec: "mpich@4.3.0"
-        prefix: /opt/aurora/24.180.3/spack/unified/0.8.0/install/linux-sles15-x86_64/oneapi-2024.07.30.002/mpich-4.3.0rc3-fzmrfta
+      - spec: "mpich@develop"
+        prefix: /opt/aurora/24.347.0/spack/unified/0.9.2/install/linux-sles15-x86_64/oneapi-2025.0.5/mpich-develop-git.6037a7a-sxnhr7p
         modules:
-          - mpich/opt/4.3.0rc3
-          - libfabric/1.20.1
+          - mpich/opt/develop-git.6037a7a
+          - libfabric/1.22.0
+  mpi:
+    require: "mpich"
+  m4:
+    require: "%gcc"
+  python:
+    require: "%gcc"
+  libtool:
+    require: "%gcc"
   all:
     prefer:
-      - "%oneapi@2025.0"
+      - "%intel-oneapi-compilers@2025.0.5"
+      - "build_type=Release"

configs/base/packages.yaml

@@ -1,4 +1,6 @@
 packages:
+  hypre:
+    require: "@=2.32.0"
   amr-wind:
     variants: +tiny_profile
   trilinos:

configs/base/repos.yaml

@@ -1,2 +1,2 @@
 repos:
-  - $spack/../repos/exawind
+  - $spack/../repos/spack_repo/exawind

configs/darwin/packages.yaml

@@ -1,14 +1,13 @@
 packages:
   mpi:
     require: "mpich"
-  hypre:
-    require: "+shared"
   blas:
     require: "openblas"
   lapack:
     require: "openblas"
-  all:
-    require:
-      - "%apple-clang"
-    prefer:
-      - "build_type=Release"
+  c:
+    require: "apple-clang"
+  cxx:
+    require: "apple-clang"
+  fortran:
+    require: "gcc"

configs/e4s/packages.yaml

@@ -1,6 +1,8 @@
 packages:
   all:
     target: [x86_64]
-    compiler: [gcc@9.4.0, clang]
     providers:
       mpi: [mpich, openmpi]
+      c: [gcc@9.4.0]
+      cxx: [gcc@9.4.0]
+      fortran: [gcc@9.4.0]

configs/ellis/packages.yaml

@@ -1,4 +1,21 @@
 packages:
+  gcc:
+    externals:
+      - spec: gcc@12.3.0
+        prefix: /data/ssd1/software/2024-05-01/opt/compilers/linux-rocky8-zen2/gcc-12.3.0/gcc-12.3.0-zotxciurfbgq5pi35vo2v42kwneo6hfk
+        extra_attributes:
+          compilers:
+            c: /data/ssd1/software/2024-05-01/opt/compilers/linux-rocky8-zen2/gcc-12.3.0/gcc-12.3.0-zotxciurfbgq5pi35vo2v42kwneo6hfk/bin/gcc
+            cxx: /data/ssd1/software/2024-05-01/opt/compilers/linux-rocky8-zen2/gcc-12.3.0/gcc-12.3.0-zotxciurfbgq5pi35vo2v42kwneo6hfk/bin/g++
+            fortran: /data/ssd1/software/2024-05-01/opt/compilers/linux-rocky8-zen2/gcc-12.3.0/gcc-12.3.0-zotxciurfbgq5pi35vo2v42kwneo6hfk/bin/gfortran
+  llvm:
+    externals:
+      - spec: llvm@17.0.6
+        prefix: /data/ssd1/software/2024-05-01/opt/compilers/linux-rocky8-zen2/gcc-12.3.0/llvm-17.0.6-fzo52dlnsdgyyb3wgxrrlxmnvepk6esa
+        extra_attributes:
+          compilers:
+            c: /data/ssd1/software/2024-05-01/opt/compilers/linux-rocky8-zen2/gcc-12.3.0/llvm-17.0.6-fzo52dlnsdgyyb3wgxrrlxmnvepk6esa/bin/clang
+            cxx: /data/ssd1/software/2024-05-01/opt/compilers/linux-rocky8-zen2/gcc-12.3.0/llvm-17.0.6-fzo52dlnsdgyyb3wgxrrlxmnvepk6esa/bin/clang++
   hdf5:
     require: "~fortran"
   h5z-zfp:
@@ -9,7 +26,11 @@ packages:
     require: "mpich"
   cuda:
     require: "@=12.5.1"
+  fortran:
+    require: "gcc@12.3.0"
   all:
-    compiler: [gcc@12.3.0, clang@17.0.6]
+    providers:
+       c: [gcc@12.3.0, llvm@17.0.6]
+       cxx: [gcc@12.3.0, llvm@17.0.6]
     variants: build_type=Release cuda_arch=80
     target: [zen2]

configs/ellis/template.yaml

@@ -4,7 +4,7 @@ spack:
     reuse: false
   view: false
   specs:
-  - exawind~amr_wind_gpu~nalu_wind_gpu~cuda@master %gcc ^nalu-wind+wind-utils+trilinos-solvers@master ^amr-wind+hypre+hdf5+netcdf+masa+waves2amr@main ^tioga@develop
-  - exawind~amr_wind_gpu~nalu_wind_gpu~cuda@master %clang ^nalu-wind+wind-utils+trilinos-solvers@master ^amr-wind+hypre+hdf5+netcdf+masa+waves2amr@main ^tioga@develop
-  - exawind~amr_wind_gpu~nalu_wind_gpu~cuda+asan@master %clang build_type=Debug ^nalu-wind+wind-utils+trilinos-solvers+asan@master build_type=Debug ^amr-wind+hypre+hdf5+netcdf+waves2amr+asan@main build_type=Debug ^tioga+asan@develop build_type=Debug ^trilinos+asan build_type=Debug ^hypre+debug
-  - exawind+amr_wind_gpu+nalu_wind_gpu+cuda@master cuda_arch=80 %gcc ^nalu-wind~wind-utils~trilinos-solvers@master ^amr-wind+hypre+hdf5+netcdf+waves2amr@main ^tioga@develop
+    - exawind~amr_wind_gpu~nalu_wind_gpu~cuda@master %gcc ^nalu-wind+wind-utils+trilinos-solvers@master ^amr-wind+hypre+hdf5+netcdf+masa+waves2amr@main ^tioga@develop
+    - exawind~amr_wind_gpu~nalu_wind_gpu~cuda@master %llvm ^nalu-wind+wind-utils+trilinos-solvers@master ^amr-wind+hypre+hdf5+netcdf+masa+waves2amr@main ^tioga@develop
+    - exawind~amr_wind_gpu~nalu_wind_gpu~cuda+asan@master build_type=Debug %llvm ^nalu-wind+wind-utils+trilinos-solvers+asan@master build_type=Debug ^amr-wind+hypre+hdf5+netcdf+waves2amr+asan@main build_type=Debug ^tioga+asan@develop build_type=Debug ^trilinos+asan build_type=Debug ^hypre+debug
+    - exawind+amr_wind_gpu+nalu_wind_gpu+cuda@master cuda_arch=80 %gcc ^nalu-wind~wind-utils~trilinos-solvers@master ^amr-wind+hypre+hdf5+netcdf+waves2amr@main ^tioga@develop

configs/frontier/packages.yaml

@@ -1,9 +1,32 @@
 packages:
+  llvm:
+    externals:
+      - spec: llvm@17.0.0
+        prefix: /opt/rocm-6.1.3
+        extra_attributes:
+          compilers:
+            c: /opt/rocm-6.1.3/bin/amdclang
+            cxx: /opt/rocm-6.1.3/bin/amdclang++
+            fortran: /opt/rocm-6.1.3/bin/flang
+        modules:
+          - PrgEnv-gnu-amd/8.6.0
+          - amd-mixed/6.1.3
+          - rocm/6.1.3
+          - craype-x86-trento
+  gcc:
+    externals:
+      - spec: gcc@12.1.0
+        prefix: /opt/cray/pe/gcc-native/12
+        extra_attributes:
+          compilers:
+            c: /opt/cray/pe/gcc-native/12/bin/gcc
+            cxx: /opt/cray/pe/gcc-native/12/bin/g++
+            fortran: /opt/cray/pe/gcc-native/12/bin/gfortran
   cray-mpich:
     require: "@8.1.31"
     buildable: false
     externals:
-      - spec: "cray-mpich@8.1.31%clang@17.0.0"
+      - spec: "cray-mpich@8.1.31%llvm@17.0.0"
         prefix: /opt/cray/pe/mpich/8.1.31/ofi/amd/6.0
         modules:
           - cray-mpich/8.1.31
@@ -74,13 +97,46 @@ packages:
         modules:
           - rocm/6.1.3
           - craype-accel-amd-gfx90a
+  rocblas:
+    require: "@6.1.3"
+    buildable: false
+    externals:
+      - spec: rocblas@6.1.3
+        prefix: /opt/rocm-6.1.3
+        modules:
+          - rocm/6.1.3
+          - craype-accel-amd-gfx90a
+  rocsolver:
+    require: "@6.1.3"
+    buildable: false
+    externals:
+      - spec: rocsolver@6.1.3
+        prefix: /opt/rocm-6.1.3
+        modules:
+          - rocm/6.1.3
+          - craype-accel-amd-gfx90a
+  hipblaslt:
+    require: "@6.1.3"
+    buildable: false
+    externals:
+      - spec: hipblaslt@6.1.3
+        prefix: /opt/rocm-6.1.3
+        modules:
+          - rocm/6.1.3
+          - craype-accel-amd-gfx90a
   python:
     require: "~ssl"
   nalu-wind:
     require: "~trilinos-solvers"
   mpi:
     require: "cray-mpich@8.1.31"
+  c:
+    require: "llvm@17.0.0"
+  cxx:
+    require: "llvm@17.0.0"
+  fortran:
+    require: "gcc@12.1.0"
+  netcdf-c:
+    require: "build_system=cmake"
   all:
-    require:
-      - "%clang@17.0.0"
     variants: amdgpu_target=gfx90a

configs/kestrel-cpu/packages.yaml

@@ -1,28 +1,50 @@
 packages:
+  intel-oneapi-compilers:
+    externals:
+      - spec: intel-oneapi-compilers@2023.2.0
+        prefix: /nopt/nrel/apps/cpu_stack/compilers/06-24/linux-rhel8-sapphirerapids/gcc-12.3.0/intel-oneapi-compilers-2023.2.0-52ic5lt6egfvpfkrr2lxy2lvujpy4ay4
+        extra_attributes:
+          compilers:
+            c: /nopt/nrel/apps/cpu_stack/compilers/06-24/linux-rhel8-sapphirerapids/gcc-12.3.0/intel-oneapi-compilers-2023.2.0-52ic5lt6egfvpfkrr2lxy2lvujpy4ay4/compiler/2023.2.0/linux/bin/icx
+            cxx: /nopt/nrel/apps/cpu_stack/compilers/06-24/linux-rhel8-sapphirerapids/gcc-12.3.0/intel-oneapi-compilers-2023.2.0-52ic5lt6egfvpfkrr2lxy2lvujpy4ay4/compiler/2023.2.0/linux/bin/icpx
+            fortran: /nopt/nrel/apps/cpu_stack/compilers/06-24/linux-rhel8-sapphirerapids/gcc-12.3.0/intel-oneapi-compilers-2023.2.0-52ic5lt6egfvpfkrr2lxy2lvujpy4ay4/compiler/2023.2.0/linux/bin/ifx
+        modules:
+          - PrgEnv-intel/8.5.0
+          - intel/2023.2.0
+  gcc:
+    externals:
+      - spec: gcc@12.1.0
+        prefix: /opt/rh/gcc-toolset-12/root
+        extra_attributes:
+          compilers:
+            c: /opt/rh/gcc-toolset-12/root/bin/gcc
+            cxx: /opt/rh/gcc-toolset-12/root/bin/g++
+            fortran: /opt/rh/gcc-toolset-12/root/bin/gfortran
   cray-mpich:
-    require: "@=8.1.28"
+    require: "@8.1.28"
     buildable: false
     externals:
-      - spec: "cray-mpich@=8.1.28%oneapi@2023.2.0"
+      - spec: "cray-mpich@8.1.28%intel-oneapi-compilers@2023.2.0"
         prefix: /opt/cray/pe/mpich/8.1.28/ofi/intel/2022.1
         modules:
           - libfabric/1.15.2.0
-      - spec: "cray-mpich@=8.1.28%gcc@12.1.0"
+      - spec: "cray-mpich@8.1.28%gcc@12.1.0"
         prefix: /opt/cray/pe/mpich/8.1.28/ofi/gnu/10.3
         modules:
           - libfabric/1.15.2.0
-  amr-wind:
-    require: "target=x86_64"
   boost:
-    require: "@=1.80.0"
+    require: "@1.80.0"
+  libxml2:
+    require: "build_system=autotools"
   mpi:
-    require: "cray-mpich@8.1.28"
+    require: "cray-mpich"
   blas:
     require: "netlib-lapack"
   lapack:
     require: "netlib-lapack"
   all:
     prefer:
-      - "%oneapi"
+      - "%intel-oneapi-compilers@2023.2.0"
       - "build_type=Release"
-      - "target=sapphirerapids"
+    conflict:
+      - "%gcc"