Spack v1.0.0

env/sles15/aarch64/admin/stable/spack.yaml

@@ -29,17 +29,12 @@ spack:
           environment:
             set:
               SLURM_MPI_TYPE: pmix
-              OMPI_MCA_mtl_ofi_disable_hmem: 'true'
         openmpi@main:
           environment:
             set:
               SLURM_MPI_TYPE: pmix
               FI_HMEM_CUDA_USE_DMABUF: '1'
-              OMPI_MCA_coll: '^han'
         core_compilers:
         - gcc@=7.5.0
-  specs:
+  specs: []
-  - matrix:
-    - [$compilers]
-    - ['%gcc@7.5.0']
   view: false

env/sles15/aarch64/admin/testing/spack.yaml

@@ -1,12 +1,18 @@
 spack:
   concretizer:
-    unify: when_possible
+    unify: false
     targets:
       granularity: microarchitectures
     reuse:
       from:
       - type: local
       - type: external
+      - type: buildcache
+    splice:
+      explicit:
+      - target: libfabric@1.15.2.0
+        replacement: libfabric/auxmn
+        transitive: false
   config:
     install_tree:
       root: $spack/opt/spack/testing
@@ -29,34 +35,20 @@ spack:
           environment:
             set:
               SLURM_MPI_TYPE: pmix
-              OMPI_MCA_mtl_ofi_disable_hmem: 'true'
         openmpi@main:
           environment:
             set:
               SLURM_MPI_TYPE: pmix
               FI_HMEM_CUDA_USE_DMABUF: '1'
-              OMPI_MCA_coll: '^han'
   packages:
-    # overwrite any existing compiler
+    libfuse:
-    'cce:':
+      externals:
-      buildable: true
+        - spec: libfuse@2.9.7
-    'gcc:':
+          prefix: /usr
-      buildable: true
     'nvhpc:':
       buildable: true
-  specs: []
+    'cce:':
+      buildable: true
+  specs:
+   - osu-micro-benchmarks +cuda cuda_arch=90 %gcc@14.2.0 ^openmpi@main +cuda cuda_arch=90 ^libfabric@main+cuda fabrics=lnx,cxi,rxm,tcp,shm ^libcxi+cuda ^cuda@12.8.0
   view: false
-  compilers:
-  - compiler:
-      spec: gcc@=7.5.0
-      paths:
-        cc: /usr/bin/gcc
-        cxx: /usr/bin/g++
-        f77: /usr/bin/gfortran
-        fc: /usr/bin/gfortran
-      flags: {}
-      operating_system: sles15
-      target: aarch64
-      modules: []
-      environment: {}
-      extra_rpaths: []

env/sles15/aarch64/admin/unstable/spack.yaml

@@ -1,19 +1,17 @@
 spack:
   concretizer:
+    targets:
+      granularity: microarchitectures
     unify: false
+    splice:
+      explicit:
+      - target: libfabric@1.15.2.0
+        replacement: libfabric/auxmn
+        transitive: false
   config:
     install_tree:
       root: $spack/opt/spack/unstable
   definitions:
-  - compilers_gcc_7.5.0:
-    - gcc@13.2.0
-    - gcc@7.5.0
-    - gcc@=12.3
-    - gcc@14.2.0/tln2ck4
-    - nvhpc@24.3
-    - cce@17.0.0
-  - compilers_gcc_13.2.0:
-    - nvhpc@24.11/6wi4jhx
   - gcc_7.5.0:
     - ffbidx@main/3xig2i
   - gcc_13.2.0:
@@ -21,22 +19,28 @@ spack:
   - gcc_14.2.0:
     - osu-micro-benchmarks@7.5/mit3iil
     - osu-micro-benchmarks@7.5/6ycu464
+    - osu-micro-benchmarks@7.5/a2kzi4a # OSS libfabric@1.22.0
+    - osu-micro-benchmarks@7.5/c25hiuy # System libfabric@1.22.0
+    - osu-micro-benchmarks@7.5/bfdstf3 # OSS libfabric@main openmpi@5.0.7
     - aws-ofi-nccl@1.13.0/nz3b3yk
   - gcc_12.3_openmpi:
     - gromacs@2024.1/x33hfjx
     - cp2k@2024.3/m3eow6e #+cuda
     - relion@4.0.1/rudfcxt
     - relion@5.0.0/oyf4n7i
+    - gromacs@2025.2/cjnqxp7
   - gcc_12.3_cray_mpich:
     - relion@5.0.0/wk4d62r
   - gcc_13.2_openmpi:
     - opal-x@fixSolverUnits/ttg7vdz
+    - opal-x@master/v6v2ehx
   - gcc_14.2_openmpi:
     - py-torchvision@0.20.1/ysfcgu5
     - py-torchaudio@2.5.1/trrglyu
   - nvhpc_24.11_openmpi:
     - quantum-espresso@7.4/oed4w6w  #+cuda +mpigpu hdf5=parallel
     - quantum-espresso@7.3.1/d5wpqzw
+    - quantum-espresso@7.4.1/gxvju5o
   include:
   - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
   mirrors:
@@ -59,83 +63,28 @@ spack:
             set:
               SLURM_MPI_TYPE: pmix
               FI_HMEM_CUDA_USE_DMABUF: '1'
-              OMPI_MCA_coll: '^han'
         core_compilers:
         - gcc@=7.5.0
   specs:
-  - matrix:
-    - [$compilers_gcc_7.5.0]
-    - ['%gcc@7.5.0']
-  - matrix:
-    - [$compilers_gcc_13.2.0]
-    - ['%gcc@13.2.0']
   - matrix:
     - [$gcc_7.5.0]
-    - ['%gcc@7.5.0']
   - matrix:
     - [$gcc_13.2.0]
-    - ['%gcc@13.2.0']
   - matrix:
     - [$gcc_14.2.0]
-    - ['%gcc@14.2.0']
   - matrix:
     - [$gcc_12.3_cray_mpich]
-    - ['%gcc@12.3']
     - [^cray-mpich]
   - matrix:
     - [$gcc_12.3_openmpi]
-    - ['%gcc@12.3']
     - [^openmpi]
   - matrix:
     - [$gcc_13.2_openmpi]
-    - ['%gcc@13.2']
     - [^openmpi]
   - matrix:
     - [$gcc_14.2_openmpi]
-    - ['%gcc@14.2']
     - [^openmpi]
   - matrix:
     - [$nvhpc_24.11_openmpi]
-    - ['%nvhpc@24.11']
     - [^openmpi]
   view: false
-  compilers:
-  - compiler:
-      spec: gcc@=14.2.0
-      paths:
-        cc: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gcc
-        cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/g++
-        f77: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gfortran
-        fc: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gfortran
-      flags: {}
-      operating_system: sles15
-      target: aarch64
-      modules: []
-      environment: {}
-      extra_rpaths: []
-  - compiler:
-      spec: gcc@=7.5.0
-      paths:
-        cc: /usr/bin/gcc
-        cxx: /usr/bin/g++
-        f77: /usr/bin/gfortran
-        fc: /usr/bin/gfortran
-      flags: {}
-      operating_system: sles15
-      target: aarch64
-      modules: []
-      environment: {}
-      extra_rpaths: []
-  - compiler:
-      spec: gcc@=12.3.0
-      paths:
-        cc: /usr/bin/gcc-12
-        cxx: /usr/bin/g++-12
-        f77: /usr/bin/gfortran-12
-        fc: /usr/bin/gfortran-12
-      flags: {}
-      operating_system: sles15
-      target: aarch64
-      modules: []
-      environment: {}
-      extra_rpaths: []

env/sles15/aarch64/sysconfigs/compilers.yaml

@@ -1,31 +0,0 @@
-compilers:
-- compiler:
-    spec: gcc@=13.2.0
-    paths:
-      cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gcc
-      cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/g++
-      f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gfortran
-      fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gfortran
-    flags: {}
-    operating_system: sles15
-    target: aarch64
-    modules:
-    - libfabric/1.22.0
-    environment: {}
-    extra_rpaths: []
-- compiler:
-    spec: nvhpc@=24.11
-    paths:
-      cc: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvc
-      cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvc++
-      f77: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvfortran
-      fc: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvfortran
-    flags: {}
-    operating_system: sles15
-    target: aarch64
-    modules:
-      - libfabric/1.22.0
-      - /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/modulefiles/nvhpc-nompi/24.11
-    environment: {}
-    extra_rpaths:
-      - /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/math_libs/lib64/stubs

env/sles15/aarch64/sysconfigs/packages.yaml

@@ -1,6 +1,5 @@
 packages:
   all:
-    compiler: [gcc, nvhpc, cce]
     prefer:
     - spec: '^openmpi'
       when: '^mpi'
@@ -55,11 +54,11 @@ packages:
       - modules:
         - cray-libsci
         prefix: /opt/cray/pe/libsci/23.12.5/cray/17.0/aarch64
-        spec: cray-libsci@23.12.5%cce@17.0.0 +mpi +openmp
+        spec: cray-libsci@23.12.5 +mpi +openmp %cce@17.0.0
       - modules:
         - cray-libsci
         prefix: /opt/cray/pe/libsci/23.12.5/GNU/12.3/aarch64/
-        spec: cray-libsci@23.12.5%gcc@12.3 +mpi +openmp
+        spec: cray-libsci@23.12.5 +mpi +openmp %gcc@12.3
   cray-mpich:
     buildable: false
     externals:
@@ -123,7 +122,7 @@ packages:
   gcc:
     externals:
       - prefix: /usr
-        spec: gcc@7.5.0
+        spec: gcc@7.5.0 languages='c,c++,fortran'
         extra_attributes:
           compilers:
             c: /usr/bin/gcc
@@ -131,10 +130,9 @@ packages:
             fortran: /usr/bin/gfortran
           operating_system: sles15
           target: aarch64
-        modules:
+        modules: ['libfabric/1.22.0']
-          - libfabric/1.22.0
       - prefix: /usr
-        spec: gcc@=12.3
+        spec: gcc@=12.3 languages='c,c++,fortran'
         extra_attributes:
           compilers:
             c: /usr/bin/gcc-12
@@ -142,10 +140,22 @@ packages:
             fortran: /usr/bin/gfortran-12
           operating_system: sles15
           target: aarch64
-        modules:
+        modules: ['libfabric/1.22.0', 'PrgEnv-gnu/8.5.0', 'gcc-native/12.3']
-          - libfabric/1.22.0
+      - spec: gcc@=13.2.0 languages='c,c++,fortran'
-          - PrgEnv-gnu/8.5.0
+        prefix: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3
-          - gcc-native/12.3
+        extra_attributes:
+          compilers:
+            c: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gcc
+            cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/g++
+            fortran: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gfortran
+        modules: ['libfabric/1.22.0']
+      - spec: gcc@=14.2.0 languages='c,c++,fortran'
+        prefix: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv
+        extra_attributes:
+          compilers:
+            c: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gcc
+            cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/g++
+            fortran: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gfortran
   gdbm:
     require: '%gcc@7.5.0'
   gettext:
@@ -159,13 +169,13 @@ packages:
   libbsd:
     require: '%gcc@7.5.0'
   libcxi:
-    require: '@main'
+    require: '@main+cuda'
   libevent:
     require: '%gcc@7.5.0'
   # Crayism
   libfabric:
     buildable: true
-    require: '@main+cuda+uring fabrics=cxi,sockets,tcp,udp,xpmem'
+    require: '@main+uring+cuda fabrics=lnx,cxi,rxm,shm,sockets,tcp,udp,xpmem'
     externals:
       - modules:
           - libfabric/1.22.0 
@@ -182,6 +192,8 @@ packages:
     require: '%gcc@7.5.0'
   libmd:
     require: '%gcc@7.5.0'
+  libnl:
+    require: '%gcc@7.5.0'
   libpciaccess:
     require: '%gcc@7.5.0'
   libsigsegv:
@@ -193,6 +205,14 @@ packages:
         spec: librsvg@2.48.0
   libtool:
     require: '%gcc@7.5.0'
+  libunistring:
+    require: '%gcc@7.5.0'
+  liburing:
+    require: '%gcc@7.5.0'
+  libuv:
+    require: '%gcc@7.5.0'
+  libxcrypt:
+    require: '%gcc@7.5.0'
   libxml2:
     require: '%gcc@7.5.0'
   llvm:
@@ -241,22 +261,28 @@ packages:
   nvhpc:
     externals:
       - prefix: /opt/nvidia/hpc_sdk
-        spec: nvhpc@24.3
+        spec: nvhpc@24.3 languages='c,c++,fortran'
         extra_attributes:
           compilers:
             c: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvc
             cxx: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvc++
             fortran: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvfortran
-          operating_system: sles15
           modules: nvhpc-nompi/24.3
           extra_rpaths:
             - /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/math_libs/lib64/stubs
+      - spec: nvhpc@=24.11 languages='c,c++,fortran'
+        prefix: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl
+        extra_attributes:
+          compilers:
+            c: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvc
+            cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvc++
+            fortran: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvfortran
+          modules: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/modulefiles/nvhpc-nompi/24.11
+          extra_rpaths:
+            - /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/math_libs/lib64/stubs
   opal:
     require:
       - spec: '%gcc'
-      - message: Opal 2022.1.0 only builds with gcc@10.4.0
-        spec: '%gcc@10.4.0 ^openmpi'
-        when: '@2022.1.0'
   opengl:
     require: '%gcc@7.5.0'
   openldap:
@@ -314,7 +340,7 @@ packages:
     buildable: false
     externals:
       - prefix: /usr
-        spec: slurm@24.05.3%gcc@7.5.0 +cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd
+        spec: slurm@24.05.3+cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd %gcc@7.5.0
   sqlite:
     require: '%gcc@7.5.0'
   tar:

env/sles15/x86_64/admin/stable/spack.yaml

@@ -6,14 +6,6 @@ spack:
     install_tree:
       root: $spack/opt/spack/stable
   definitions:
-  - compilers:
-    - gcc@7.5.0
-    - gcc@=12.3.0
-    - intel-oneapi-compilers@=2024.1.0
-    - intel-oneapi-compilers@=2022.1.0
-    - gcc@=13.2.0
-    - nvhpc@23.9
-    - cce@17.0.0
   - gcc_7.5.0:
     - fpart@1.6.0/di4akxx
   - gcc_12.3_mpich:
@@ -22,7 +14,6 @@ spack:
     - opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
   include:
     - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
-    - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
   include_concrete:
     - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable
   mirrors:
@@ -35,26 +26,19 @@ spack:
         cray-mpich:
           environment:
             set:
-              SLURM_MPI_TYPE: 'pmix'
+              SLURM_MPI_TYPE: 'cray_shasta'
               LD_LIBRARY_PATH: '/opt/cray/libfabric/1.22.0/lib64'
         openmpi:
           environment:
             set:
               SLURM_MPI_TYPE: 'pmix'
-              OMPI_MCA_mtl_ofi_disable_hmem: 'true'
   specs:
-  - matrix:
-    - [$compilers]
-    - ['%gcc@7.5.0']
   - matrix:
     - [$gcc_7.5.0]
-    - ['%gcc@7.5.0']
   - matrix:
     - [$gcc_12.3_mpich]
-    - ['%gcc@12.3']
     - [^cray-mpich]
   - matrix:
     - [$gcc_13.2_openmpi]
-    - ['%gcc@13.2']
     - [^openmpi]
   view: false

env/sles15/x86_64/admin/testing/spack.yaml

@@ -1,6 +1,13 @@
 spack:
   concretizer:
     unify: false
+    reuse:
+      from:
+      - type: local
+      - type: external
+      - type: buildcache
+    #targets:
+    #  granularity: microarchitectures
   config:
     install_tree:
       root: $spack/opt/spack/testing
@@ -10,8 +17,8 @@ spack:
   - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
   include_concrete:
   - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/testing
-  mirrors:
+#  mirrors:
-    local_psi: file:///afs/psi.ch/software/spack/testing
+#    local_psi: file:///afs/psi.ch/software/spack/testing
   modules:
     default:
       roots:
@@ -26,7 +33,84 @@ spack:
           environment:
             set:
               SLURM_MPI_TYPE: pmix
-              OMPI_MCA_mtl_ofi_disable_hmem: 'true'
+  packages:
+#    nvhpc:
+#      externals:
+#      - spec: nvhpc@25.3~blas~lapack~mpi
+#        prefix: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64_v3/nvhpc-25.3-mm5vxcjzro4g6lmkxfd6j6qdzyxa2kyn/Linux_x86_64/25.3/compilers
+#        extra_attributes:
+#          compilers:
+#            c: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64_v3/nvhpc-25.3-mm5vxcjzro4g6lmkxfd6j6qdzyxa2kyn/Linux_x86_64/25.3/compilers/bin/nvc
+#            cxx: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64_v3/nvhpc-25.3-mm5vxcjzro4g6lmkxfd6j6qdzyxa2kyn/Linux_x86_64/25.3/compilers/bin/nvc++
+#            fortran: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64_v3/nvhpc-25.3-mm5vxcjzro4g6lmkxfd6j6qdzyxa2kyn/Linux_x86_64/25.3/compilers/bin/nvfortran
+#    c:
+#      prefer:
+#      - nvhpc@25.3
+#    cxx:
+#      prefer:
+#      - nvhpc@25.3
+#    fortran:
+#      prefer:
+#      - nvhpc@25.3
+    gcc:
+      externals:
+      - spec: gcc@14.2.0 languages='c,c++,fortran'
+        prefix: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64/gcc-14.2.0-mjf4kdp65lctjxkbtvcf2qbhc5z3lsyd
+        extra_attributes:
+          compilers:
+            c: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64/gcc-14.2.0-mjf4kdp65lctjxkbtvcf2qbhc5z3lsyd/bin/gcc
+            cxx: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64/gcc-14.2.0-mjf4kdp65lctjxkbtvcf2qbhc5z3lsyd/bin/g++
+            fortran: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64/gcc-14.2.0-mjf4kdp65lctjxkbtvcf2qbhc5z3lsyd/bin/gfortran
+      - spec: gcc@7.5.0 languages='c,c++,fortran'
+        prefix: /usr
+        extra_attributes:
+          compilers:
+            c: /usr/bin/gcc
+            cxx: /usr/bin/g++
+            fortran: /usr/bin/gfortran
+#      - spec: gcc@12.3 languages='c,c++,fortran'
+#        prefix: /usr
+#        extra_attributes:
+#          compilers:
+#            c: /usr/bin/gcc-12
+#            cxx: /usr/bin/g++-12
+#            fortran: /usr/bin/gfortran-12
+#      - spec: gcc@=13.2.0 languages='c,c++,fortran'
+#        prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7
+#        extra_attributes:
+#          compilers:
+#            c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gcc
+#            cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/g++
+#            fortran: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gfortran
+    'hdf5:':
+      buildable: true
+    libfuse:
+      externals:
+      - spec: libfuse@2.9.7
+        prefix: /usr
+    librsvg:
+      buildable: false
+      externals:
+      - spec: librsvg@2.2.0
+        prefix: /usr
+    'cce:':
+      buildable: true
+    'nvhpc:':
+      buildable: true
+    'intel-oneapi-compilers:':
+      buildable: true
+    'intel-oneapi-compilers-classic:':
+      buildable: true
+    'intel-oneapi-mpi:':
+      buildable: true
+    'fftw:':
+      buildable: true
   specs:
-  - 
+  - valgrind +mpi %gcc@12.3
+  #- castep@25.12 %gcc@12.3 fflags=-fallow-argument-mismatch 
+   #- cp2k@2025.1 fflags=-fallow-argument-mismatch +cosma+plumed+sirius+cuda cuda_arch=80 %gcc@12.3 ^sirius +scalapack ^cosma +gpu_direct
+   #- gcc@13.2.0
+   #- opal-x@master +cuda+fft+mpi+solvers+tests cuda_arch=80 %gcc@13.2.0 ^openmpi ^hdf5@1.14.3 ^hwloc@2.11.1 %gcc@7.5.0
   view: false
+  mirrors:
+    local_psi: file:///afs/psi.ch/software/spack/testing

env/sles15/x86_64/admin/unstable/spack.yaml

@@ -5,28 +5,30 @@ spack:
     install_tree:
       root: $spack/opt/spack/unstable
   definitions:
-  - compilers:
-    - gcc@7.5.0
-    - gcc@9.5.0/ow3yhui
-    - gcc@=12.3
-    - intel-oneapi-compilers@=2024.1.0
-    - intel-oneapi-compilers@=2022.1.0
-    - gcc@=13.2.0 arch=linux-sles15-x86_64
-    - nvhpc@23.9
-    - cce@17.0.0
   - gcc_7.5.0:
     - fpart@1.6.0/di4akxx
-    - visit@3.3.3/fo37wwb
+    - castep@25.12/chorual
   - gcc_12.3:
     - fastqc@0.12.1/eyuqqvf
     - ffbidx@main/lfacuhw
     - star@2.7.11a/gdgr2ea
     - sratoolkit@3.1.1/7oqp6a3
+    - py-pymol@3.1.0/5qcfphh
+    - valgrind@3.24.0/eicvdsq
   - gcc_13.2:
     - dmtcp@3.0.0/e76t6c5
     - gams@49.1/vztjqs4
+    - ghostscript@10.04.0/27dgytn
+    - ghostscript@10.04.0/sqkkzjs
+    - nvhpc@25.3/wcwfa56
+    - libgd@2.3.3/jdywifq
+    - geant4@11.2.1/nkib2pg
+    - root@6.34.06/2wo4ykf
+    - boost@1.82.0/cawp3cu
+    - arpack-ng@3.9.1/aapiazg
   - gcc_13.2_openmpi:
     - opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
+    - opal-x@master/cbgsfxb  #+cuda cuda_arch=80
   - gcc_12.3_mpich:
     - cp2k@2024.1/2jesise     #~cuda
     - cp2k@2024.1/zqm5fme     #+cuda
@@ -40,10 +42,20 @@ spack:
   - gcc_12.3_openmpi:
     - gromacs@2024.1/3n7qspb     #+cuda
     - hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3
+    - quantum-espresso@7.4.1/qasxcxt
+    - quantum-espresso@7.4.0/m7bevi7
+  - gcc_14.2.0_openmpi:
+    - osu-micro-benchmarks@7.5/tlphstf
+    - visit@3.4.1/h3a6tat
+    - gromacs@2025.2/whcqszb
+    - gromacs@2025.2/vbj4i76
+  - gcc_14.2.0_mpich:
+    - osu-micro-benchmarks@7.5/exsxjam
+    - osu-micro-benchmarks@7.5/miy6mrp
   - intel_2021.6.0:
     - hdf5@1.14.3/yrxkczx
   - nvhpc_23.9_openmpi:
-    - quantum-espresso@7.3.1/le35al7 #+cuda
+    - quantum-espresso@7.4.1/nxswsd7 #+cuda +mpi +mpigpu
   include:
   - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
   include_concrete:
@@ -58,47 +70,41 @@ spack:
         cray-mpich:
           environment:
             set:
-              SLURM_MPI_TYPE: 'pmix'
+              SLURM_MPI_TYPE: cray_shasta
               LD_LIBRARY_PATH: /opt/cray/libfabric/1.22.0/lib64
         openmpi:
           environment:
             set:
-              SLURM_MPI_TYPE: 'pmix'
+              SLURM_MPI_TYPE: pmix
-              OMPI_MCA_mtl_ofi_disable_hmem: 'true'
   specs:
-  - matrix:
-    - [$compilers]
-    - ['%gcc@7.5.0']
   - matrix:
     - [$gcc_7.5.0]
-    - ['%gcc@7.5.0']
   - matrix:
     - [$gcc_12.3]
-    - ['%gcc@12.3']
   - matrix:
     - [$gcc_13.2]
-    - ['%gcc@13.2']
   - matrix:
     - [$gcc_13.2_openmpi]
-    - ['%gcc@13.2']
     - [^openmpi]
   - matrix:
     - [$gcc_12.3_mpich]
-    - ['%gcc@12.3']
     - [^cray-mpich]
+  - matrix:
+    - [$gcc_14.2.0_mpich]
+    - [^mpich]
   - matrix:
     - [$gcc_9.5.0_openmpi]
-    - ['%gcc@9.5.0']
+    - [^openmpi]
+  - matrix:
+    - [$gcc_14.2.0_openmpi]
     - [^openmpi]
   - matrix:
     - [$gcc_12.3_openmpi]
-    - ['%gcc@12.3']
     - [^openmpi]
   - matrix:
     - [$intel_2021.6.0]
-    - ['%intel@2021.6.0']
   - matrix:
     - [$nvhpc_23.9_openmpi]
-    - ['%nvhpc@23.9']
     - [^openmpi]
+  - valgrind@3.24.0/eicvdsq
   view: false

env/sles15/x86_64/sysconfigs/compilers.yaml

@@ -1,57 +0,0 @@
-compilers:
-- compiler:
-      spec: intel@=2021.6.0
-      paths:
-        cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icc
-        cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icpc
-        f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/ifort
-        fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/ifort
-      flags: {}
-      operating_system: sles15
-      target: x86_64
-      modules:
-      - libfabric/1.22.0
-      environment: {}
-      extra_rpaths: []
-- compiler:
-      spec: oneapi@=2022.1.0
-      paths:
-        cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icx
-        cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icpx
-        f77: null
-        fc: null
-      flags: {}
-      operating_system: sles15
-      target: x86_64
-      modules:
-      - libfabric/1.22.0
-      environment: {}
-      extra_rpaths: []
-- compiler:
-      spec: gcc@=13.2.0
-      paths:
-        cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gcc
-        cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/g++
-        f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gfortran
-        fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gfortran
-      flags: {}
-      operating_system: sles15
-      target: x86_64
-      modules:
-      - libfabric/1.22.0
-      environment: {}
-      extra_rpaths: []
-- compiler:
-      spec: gcc@=9.5.0
-      paths:
-        cc: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gcc
-        cxx: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/g++
-        f77: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gfortran
-        fc: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gfortran
-      flags: {}
-      operating_system: sles15
-      target: x86_64
-      modules:
-      - libfabric/1.22.0
-      environment: {}
-      extra_rpaths: []

env/sles15/x86_64/sysconfigs/packages.yaml

@@ -1,53 +1,50 @@
 packages:
   all:
-    compiler: [gcc, nvhpc, cce]
     prefer:
     - spec: '^openmpi'
       when: '^mpi'
     providers:
-      blas: [openblas, nvhpc, cray-libsci]
+      blas: [openblas, nvpl-blas, cray-libsci]
-      lapack: [openblas, nvhpc, cray-libsci]
+      lapack: [openblas, nvpl-lapack, cray-libsci]
       mpi: [openmpi, cray-mpich]
       pkgconfig: [pkg-config]
       scalapack: [cray-libsci]
+    variants:
+      - cuda_arch=80
     require:
       - spec: "os=sles15"
       - spec: "target=x86_64"
         when: "%gcc"
-      - spec: "target=zen3"
+#  autoconf:
-        when: "%nvhpc"
+#    require: '^gcc'
-    variants:
-      - cuda_arch=80
-  autoconf:
-    require: '%gcc@7.5.0'
   automake:
     require: '%gcc@7.5.0'
   berkeley-db:
     require: '%gcc@7.5.0'
   boost:
-    require: '%gcc@7.5.0'
+    require: '%gcc'
   ca-certificates-mozilla:
     require: '%gcc@7.5.0'
-  cce:
+#  cce:
-    externals:
+#    externals:
-      - modules:
+#      - modules:
-        - libfabric/1.22.0
+#        - libfabric/1.22.0
-        - PrgEnv-cray/8.5.0
+#        - PrgEnv-cray/8.5.0
-        - cce/17.0.0
+#        - cce/17.0.0
-        spec: cce@=17.0.0
+#        spec: cce@=17.0.0
-        extra_attributes:
+#        extra_attributes:
-          compilers:
+#          compilers:
-            c: cc
+#            c: cc
-            cxx: CC
+#            cxx: CC
-            fortran: ftn
+#            fortran: ftn
-          operating_system: sles15
+#          operating_system: sles15
-          target: x86_64
+#          target: x86_64
   cairo:
     require: '%gcc@7.5.0'
   cassini-headers:
     require: '@main'
   cmake:
-    require: '%gcc'
+    require: '^gcc'
   coreutils:
     require: '%gcc@7.5.0'
   cray-libsci:
@@ -56,29 +53,31 @@ packages:
       - modules:
         - cray-libsci
         prefix: /opt/cray/pe/libsci/23.12.5/cray/17.0/x86_64
-        spec: cray-libsci@23.12.5%cce@17.0.0 +mpi +openmp
+        spec: cray-libsci@23.12.5+mpi+openmp%cce@17.0.0
       - modules:
         - cray-libsci
         prefix: /opt/cray/pe/libsci/23.12.5/GNU/12.3/x86_64/
-        spec: cray-libsci@23.12.5%gcc@12.3 +mpi +openmp
+        spec: cray-libsci@23.12.5+mpi+openmp^gcc@12.3
   cray-mpich:
     buildable: false
     externals:
       - modules:
           - cray-mpich
+          - libfabric/1.22.0
         prefix: /opt/cray/pe/mpich/8.1.28/ofi/cray/17.0
         spec: cray-mpich@8.1.28%cce@17.0.0
       - modules:
           - cray-mpich
+          - libfabric/1.22.0
         prefix: /opt/cray/pe/mpich/8.1.28/ofi/gnu/12.3
-        spec: cray-mpich@8.1.28%gcc@12.3
+        spec: cray-mpich@8.1.28^gcc@12.3
   cray-pmi:
     buildable: false
     externals:
       - modules:
           - cray-pmi
         prefix: /opt/cray/pe/pmi/6.1.13
-        spec: cray-pmi@6.1.13%gcc
+        spec: cray-pmi@6.1.13^gcc
   cuda:
     prefer:
     - spec: '@12.8.0'
@@ -99,7 +98,7 @@ packages:
       - modules:
         - cray-fftw/3.3.10.6
         prefix: /opt/cray/pe/fftw/3.3.10.6/x86_64
-        spec: fftw@3.3.10.6+mpi+openmp~pfft_patches precision=double,float%gcc@12.3
+        spec: fftw@3.3.10.6+mpi+openmp~pfft_patches precision=double,float^gcc@12.3
   findutils:
     require: '%gcc@7.5.0'
   flex:
@@ -112,30 +111,44 @@ packages:
     require: '%gcc@7.5.0'
   gcc:
     externals:
-      - prefix: /usr
+    - spec: gcc@7.5.0 languages='c,c++,fortran'
-        spec: gcc@7.5.0
+      prefix: /usr
-        extra_attributes:
+      extra_attributes:
-          compilers:
+        compilers:
-            c: /usr/bin/gcc
+          c: /usr/bin/gcc
-            cxx: /usr/bin/g++
+          cxx: /usr/bin/g++
-            fortran: /usr/bin/gfortran
+          fortran: /usr/bin/gfortran
-          operating_system: sles15
+    - spec: gcc@12.3 languages='c,c++,fortran'
-          target: x86_64
+      prefix: /usr
-        modules:
+      extra_attributes:
-          - libfabric/1.22.0
+        compilers:
-      - prefix: /usr
+          c: /usr/bin/gcc-12
-        spec: gcc@=12.3
+          cxx: /usr/bin/g++-12
-        extra_attributes:
+          fortran: /usr/bin/gfortran-12
-          compilers:
+    - spec: gcc@=13.2.0 languages='c,c++,fortran'
-            c: /usr/bin/gcc-12
+      prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7
-            cxx: /usr/bin/g++-12
+      extra_attributes:
-            fortran: /usr/bin/gfortran-12
+        compilers:
-          operating_system: sles15
+          c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gcc
-          target: x86_64
+          cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/g++
-        modules:
+          fortran: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gfortran
-          - libfabric/1.22.0
+        modules: libfabric/1.22.0
-          - PrgEnv-gnu/8.5.0
+    - spec: gcc@=9.5.0 languages='c,c++,fortran'
-          - gcc-native/12.3
+      prefix: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp
+      extra_attributes:
+        compilers:
+          c: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gcc
+          cxx: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/g++
+          fortran: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gfortran
+        modules: libfabric/1.22.0
+    - spec: gcc@=14.2.0 languages='c,c++,fortran'
+      prefix: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-14.2.0-jzgck7w35mj62amibctygaltet3udp7k
+      extra_attributes:
+        compilers: 
+          c: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-14.2.0-jzgck7w35mj62amibctygaltet3udp7k/bin/gcc 
+          cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-14.2.0-jzgck7w35mj62amibctygaltet3udp7k/bin/g++ 
+          fortran: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-14.2.0-jzgck7w35mj62amibctygaltet3udp7k/bin/gfortran
+        modules: libfabric/1.22.0
   gdbm:
     require: '%gcc@7.5.0'
   gettext:
@@ -150,16 +163,39 @@ packages:
     require: '%gcc@7.5.0'
   gtkplus:
     require: 'default_library=shared,static'
+  hdf5:
+    externals:
+      - prefix: '/opt/cray/pe/hdf5-parallel/1.12.2.9/gnu/12.3'
+        spec: 'hdf5@1.12.2.9+fortran+hl+mpi^gcc@12.3 ^cray-mpich'
+      - prefix: '/opt/cray/pe/hdf5/1.12.2.9/gnu/12.3'
+        spec: 'hdf5@1.12.2.9+fortran+hl~mpi^gcc@12.3 ^cray-mpich'
+  intel-oneapi-compilers:
+    externals:
+      - spec: intel-oneapi-compilers@2022.1.0
+        prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7
+        extra_attributes:
+          compilers:
+            c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icx
+            cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icpx
+  intel-oneapi-compilers-classic:
+    externals:
+      - spec: intel-oneapi-compilers-classic@2021.6.0
+        prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux
+        extra_attributes:
+          compilers:
+            c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icc
+            cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icpc
+            fortran: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/ifort
   libbsd:
     require: '%gcc@7.5.0'
   libcxi:
-    require: '@main'
+    require: '@main+cuda'
   libevent:
     require: '%gcc@7.5.0'
   # Crayism
   libfabric:
     buildable: true
-    require: '@main+cuda+uring fabrics=cxi,sockets,tcp,udp,xpmem'
+    require: '@main+uring+cuda fabrics=lnx,cxi,rxm,shm,sockets,tcp,udp,xpmem'
     externals:
       - modules:
           - libfabric/1.22.0
@@ -168,15 +204,25 @@ packages:
   libiconv:
     require: '%gcc@7.5.0'
   libidn2:
-    require: '%gcc@7.5.0'
+    require: '^gcc'
   libmd:
     require: '%gcc@7.5.0'
+  libnl:
+    require: '^gcc'
   libpciaccess:
     require: '%gcc@7.5.0'
   libsigsegv:
     require: '%gcc@7.5.0'
   libtool:
     require: '%gcc@7.5.0'
+  liburing:
+    require: '^gcc'
+  libunistring:
+    require: '^gcc'
+  libuv:
+    require: '^gcc'
+  libxcrypt:
+    require: '^gcc'
   libxml2:
     require: '%gcc@7.5.0'
   llvm:
@@ -203,11 +249,11 @@ packages:
       - modules:
         - cray-netcdf/4.9.0.9
         prefix: /opt/cray/pe/netcdf/4.9.0.9/gnu/12.3
-        spec: netcdf-c@4.9.0.9~dap~hdf4~jna~mpi~parallel-netcdf+shared%gcc@12.3
+        spec: netcdf-c@4.9.0.9~dap~hdf4~jna~mpi~parallel-netcdf+shared^gcc@12.3
       - modules:
         - cray-netcdf-hdf5parallel/4.9.0.9
         prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.9/gnu/12.3
-        spec: netcdf-c@4.9.0.9~dap~hdf4~jna+mpi~parallel-netcdf+shared%gcc@12.3
+        spec: netcdf-c@4.9.0.9~dap~hdf4~jna+mpi~parallel-netcdf+shared^gcc@12.3
   netcdf-fortran:
     externals:
       - modules:
@@ -217,18 +263,18 @@ packages:
       - modules:
         - cray-netcdf/4.9.0.9
         prefix: /opt/cray/pe/netcdf/4.9.0.9/gnu/12.3
-        spec: netcdf-fortran@4.9.0.9~doc+shared%gcc@12.3
+        spec: netcdf-fortran@4.9.0.9~doc+shared^gcc@12.3
   ninja:
     require: '%gcc@7.5.0'
   numactl:
     require: '%gcc@7.5.0'
   nvhpc:
     externals:
-      - spec: nvhpc@23.9
+      - spec: nvhpc@23.9 languages='c,c++,fortran'
         prefix: /opt/nvidia/hpc_sdk
         extra_attributes:
           compilers:
-            c: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvc
+            cc: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvc
             cxx: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvc++
             fortran: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvfortran
           operating_system: sles15
@@ -238,10 +284,12 @@ packages:
               LD_LIBRARY_PATH: '/opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/lib:/opt/nvidia/hpc_sdk/Linux_x86_64/23.9/math_libs/lib64/stubs'
   opal:
     require:
-      - spec: '%gcc'
+      - spec: '^gcc'
-      - message: Opal 2022.1.0 only builds with gcc@10.4.0
+#      - message: Opal 2022.1.0 only builds with gcc@10.4.0
-        spec: '%gcc@10.4.0 ^openmpi'
+#        spec: '^gcc@10.4.0 ^openmpi'
-        when: '@2022.1.0'
+#        when: '@2022.1.0'
+  openblas:
+    require: '^gcc' 
   opengl:
     require: '%gcc@7.5.0'
   openldap:
@@ -251,9 +299,9 @@ packages:
         spec: openldap@2.4.46
   openmpi:
     require:
-      - spec: "schedulers=slurm fabrics=ofi,xpmem +cuda +internal-pmix"
+      - spec: "schedulers=slurm +cuda fabrics=ofi,xpmem +internal-pmix"
         when: "@5.0.0:"
-      - spec:  "schedulers=slurm fabrics=ofi,xpmem +pmi +cxx +cxx_exceptions +cuda +legacylaunchers"
+      - spec:  "schedulers=slurm +cuda fabrics=ofi,xpmem +pmi +cxx +cxx_exceptions +legacylaunchers"
         when: "@:5.0.0"
   openssh:
     require: '%gcc@7.5.0'
@@ -268,7 +316,7 @@ packages:
       - modules:
         - cray-parallel-netcdf/1.12.3.9
         prefix: /opt/cray/pe/parallel-netcdf/1.12.3.9/gnu/12.3
-        spec: parallel-netcdf@1.12.3.9+cxx+fortran%gcc@12.3
+        spec: parallel-netcdf@1.12.3.9+cxx+fortran^gcc@12.3
   perl:
     buildable: false
     externals:
@@ -280,13 +328,8 @@ packages:
     require: '%gcc@7.5.0'
   pmix:
     require: '+munge'
-  py-fypp:
-    require: '%gcc@7.5.0'
   python:
     require: '%gcc@7.5.0'
-  # QE is unable to find out cray-libsci
-  quantum-espresso:
-    require: ~scalapack ^openblas
   rdma-core:
     require: '%gcc@7.5.0'
   readline:
@@ -295,7 +338,7 @@ packages:
     buildable: false
     externals:
       - prefix: /usr
-        spec: slurm@23.11.8%gcc@7.5.0 +cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd
+        spec: slurm@23.11.8+cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd%gcc@7.5.0
   sqlite:
     require: '%gcc@7.5.0'
   tar:
@@ -306,8 +349,6 @@ packages:
     require: '%gcc@7.5.0'
   util-linux-uuid:
     require: '%gcc@7.5.0'
-  util-macros:
-    require: '%gcc@7.5.0'
   xpmem:
     buildable: false
     externals:
@@ -323,5 +364,7 @@ packages:
         spec: xz@5.2.3
   zlib:
     require: '%gcc@7.5.0'
+  zlib-ng:
+    require: '%gcc@7.5.0'
   zstd:
     require: '%gcc@7.5.0'

packages/amrex/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.amrex import Amrex as SpackAmrex
+from spack_repo.builtin.packages.amrex.package import Amrex as SpackAmrex
 
 
 class Amrex(SpackAmrex):

packages/cray-libsci/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.cray_libsci import CrayLibsci as SpackCrayLibsci
+from spack_repo.builtin.packages.cray_libsci.package import CrayLibsci as SpackCrayLibsci
 
 
 class CrayLibsci(SpackCrayLibsci):

packages/cuda/package.py

@@ -5,7 +5,7 @@
 
 
 from spack.package import *
-from spack.pkg.builtin.cuda import Cuda as SpackCuda
+from spack_repo.builtin.packages.cuda.package import Cuda as SpackCuda
 
 
 class Cuda(SpackCuda):
@@ -16,3 +16,4 @@ class Cuda(SpackCuda):
         if '%nvhpc' in self.spec:
           env.prepend_path("LD_LIBRARY_PATH", self.prefix.lib64)
           env.prepend_path("LD_LIBRARY_PATH", join_path(self.prefix, '../math_libs/lib64'))
+

packages/gams/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.gams import Gams as SpackGams
+from spack_repo.builtin.packages.gams.package import Gams as SpackGams
 
 
 class Gams(SpackGams):

packages/h5hut/package.py

@@ -24,6 +24,10 @@ class H5hut(AutotoolsPackage):
     variant("fortran", default=True, description="Enable Fortran support")
     variant("mpi", default=True, description="Enable MPI support")
 
+    depends_on("c", type="build")  # generated
+    depends_on("cxx", type="build")  # generated
+    depends_on("fortran", type="build")  # generated
+
     depends_on("autoconf", type="build", when="build_system=autotools")
     depends_on("automake", type="build", when="build_system=autotools")
     depends_on("libtool", type="build", when="build_system=autotools")

packages/opal-x/package.py

@@ -61,6 +61,7 @@ class OpalX(CMakePackage, CudaPackage):
     depends_on("gsl@2.7+shared")
     depends_on("gnutls@3.5.19:")
     depends_on("cuda@12.4.0:")
+    depends_on("zlib")
 
     depends_on("h5hut+mpi", when="+mpi")
 

packages/py-absl-py/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.py_absl_py import PyAbslPy as SpackPyAbslPy
+from spack_repo.builtin.packages.py_absl_py.package import PyAbslPy as SpackPyAbslPy
 
 class PyAbslPy(SpackPyAbslPy):
 

packages/py-chex/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.py_chex import PyChex as SpackPyChex
+from spack_repo.builtin.packages.py_chex.package import PyChex as SpackPyChex
 
 class PyChex(SpackPyChex):
 

packages/py-dm-haiku/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.py_dm_haiku import PyDmHaiku as SpackPyDmHaiku
+from spack_repo.builtin.packages.py_dm_haiku.package import PyDmHaiku as SpackPyDmHaiku
 
 class PyDmHaiku(SpackPyDmHaiku):
 

packages/py-immutabledict/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.py_immutabledict import PyImmutabledict as SpackPyImmutabledict
+from spack_repo.builtin.packages.py_immutabledict.package import PyImmutabledict as SpackPyImmutabledict
 
 class PyImmutabledict(SpackPyImmutabledict):
 

packages/py-jax/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.py_jax import PyJax as SpackPyJax
+from spack_repo.builtin.packages.py_jax.package import PyJax as SpackPyJax
 
 class PyJax(SpackPyJax):
 

packages/py-jaxlib/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.py_jaxlib import PyJaxlib as SpackPyJaxlib
+from spack_repo.builtin.packages.py_jaxlib.package import PyJaxlib as SpackPyJaxlib
 
 class PyJaxlib(SpackPyJaxlib):
 

packages/relion/package.py

@@ -5,7 +5,7 @@
 
 
 from spack.package import *
-from spack.pkg.builtin.relion import Relion as SpackRelion
+from spack_repo.builtin.packages.relion.package import Relion as SpackRelion
 
 
 class Relion(SpackRelion):

packages/slurm/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.slurm import Slurm as SpackSlurm
+from spack_repo.builtin.packages.slurm.package import Slurm as SpackSlurm
 
 
 class Slurm(SpackSlurm):
@@ -25,3 +25,4 @@ class Slurm(SpackSlurm):
             args.append("--with-cray_shasta")
 
         return args
+

packages/sratoolkit/package.py

@@ -6,7 +6,7 @@
 import os
 
 from spack.package import *
-from spack.pkg.builtin.sratoolkit import Sratoolkit as SpackSratoolkit
+from spack_repo.builtin.packages.sratoolkit.package import Sratoolkit as SpackSratoolkit
 
 
 class Sratoolkit(SpackSratoolkit):