FIX: providers for quantum-espresso

env/sles15/aarch64/sysconfigs/packages.yaml

@@ -4,18 +4,22 @@ packages:
     prefer:
     - spec: '^openmpi'
       when: '^mpi'
+    - spec: '^openblas'
+      when: '%gcc ^blas'
+    - spec: '^netlib-scalapack'
+      when: '+scalapack'
     providers:
-      blas: [openblas, nvhpc, cray-libsci]
-      lapack: [openblas, nvhpc, cray-libsci]
+      blas: [openblas, nvhpc, nvpl-blas]
+      lapack: [openblas, nvhpc, nvpl-lapack]
       mpi: [openmpi, cray-mpich]
       pkgconfig: [pkg-config]
-      scalapack: [cray-libsci]
+      scalapack: [netlib-scalapack]
     require:
-      - spec: "os=sles15"
-      - spec: "target=aarch64"
-        when: "%gcc"
-      - spec: "target=neoverse_v2"
-        when: "%nvhpc"
+    - spec: "os=sles15"
+    - spec: "target=aarch64"
+      when: "%gcc"
+    - spec: "target=neoverse_v2"
+      when: "%nvhpc"
     # Grace Hopper arch
     variants:
       - cuda_arch=90
@@ -58,10 +62,12 @@ packages:
     buildable: false
     externals:
       - modules:
+          - PrgEnv-cce
           - cray-mpich
         prefix: /opt/cray/pe/mpich/8.1.28/ofi/cray/17.0
         spec: cray-mpich@8.1.28%cce@17.0.0
       - modules:
+          - PrgEnv-gnu
           - cray-mpich
         prefix: /opt/cray/pe/mpich/8.1.28/ofi/gnu/12.3
         spec: cray-mpich@8.1.28%gcc@12.3
@@ -78,9 +84,13 @@ packages:
     require: '@12.2.0:'
     externals:
       - modules:
-          - nvhpc-nompi/24.3
+        - nvhpc-nompi/24.3
         prefix: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/cuda
         spec: cuda@12.2.0%nvhpc@24.3
+        extra_attributes:
+          environment:
+            prepend_path:
+              LD_LIBRARY_PATH: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/math_libs/lib64/stubs
   curl:
     require: '%gcc@7.5.0'
   egl:
@@ -227,11 +237,10 @@ packages:
             fortran: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvfortran
           operating_system: sles15
           modules:
-          - libfabric/1.15.2.0
-          - nvhpc-nompi/24.3
-          environment:
-            prepend_path:
-              LD_LIBRARY_PATH: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/math_libs/lib64/stubs
+            - "libfabric/1.15.2.0"
+            - "nvhpc-nompi/24.3"
+          extra_rpaths:
+            - /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/math_libs/lib64/stubs
   opal:
     require:
       - spec: '%gcc'
@@ -249,7 +258,7 @@ packages:
     require:
       - spec: "schedulers=slurm fabrics=ofi +cuda"
         when: "@5.0.0:"
-      - spec:  "schedulers=slurm fabrics=ofi +cxx +cxx_exceptions +cuda +legacylaunchers"
+      - spec:  "schedulers=slurm fabrics=ofi +cxx +cuda +legacylaunchers"
         when: "@:5.0.0"
   openssh:
     require: '%gcc@7.5.0'
@@ -278,9 +287,13 @@ packages:
     require: '%gcc@7.5.0'
   python:
     require: '%gcc@7.5.0'
-  # QE is unable to find out cray-libsci
   quantum-espresso:
-    require: ~scalapack ^openblas
+    require:
+      - spec: "^nvpl-blas ^nvpl-lapack"
+        when: "%nvhpc"
+    conflict:
+    - spec: '^acfl'
+      when: '%nvhpc'
   rdma-core:
     require: '%gcc@7.5.0'
   readline: