Adding kokkos

stacks/pinot-noir/packages_jed.yaml

@@ -16,21 +16,26 @@ packages:
   # ---------------------------------------------------------------------------
   hypre:
     require:
-    - spec: '+cuda cuda_arch=89,90'
+    - spec: '+cuda cuda_arch=90'
+      when: '%gcc'
+
+  kokkos:
+    require:
+    - spec: '+cuda cuda_arch=90 +cuda_uvm'
       when: '%gcc'
 
   openmpi:
     require:
-      - spec: 'fabrics=hcoll +cuda cuda_arch=89,90 target=icelake'
+      - spec: 'fabrics=hcoll +cuda cuda_arch=90 target=icelake'
 
   petsc:
     require:
-    - spec: '+cuda cuda_arch=89,90'
+    - spec: '+cuda cuda_arch=90'
       when: '%gcc'
 
   py-torch:
     require:
-    - spec: '+cuda cuda_arch=89,90 +nccl +cudnn'
+    - spec: '+cuda cuda_arch=90 +nccl +cudnn'
 
   quantum-espresso:
     require:
@@ -38,7 +43,7 @@ packages:
 
   ucx:
     require:
-      - spec: '+xpmem +cma +rdmacm +rc +ud +dc +verbs +ib_hw_tm +vfs +gdrcopy +cuda cuda_arch=89,90 target=icelake ~rocm'
+      - spec: '+xpmem +cma +rdmacm +rc +ud +dc +verbs +ib_hw_tm +vfs +gdrcopy +cuda cuda_arch=90 target=icelake ~rocm'
 
   # ---------------------------------------------------------------------------
   # Externals

stacks/pinot-noir/packages_stack.yaml

@@ -91,6 +91,9 @@ packages:
   intel-oneapi-mkl:
     prefer: ['+cluster']
 
+  kokkos:
+    prefer: ['+openmp', '+openmptarget', '+numactl', '+memkind', '+threads', '+aggressive_vectorization']
+
   lammps:
     require: ['build_type=Release', '+asphere', '+atc', '+body', '+class2',
     '+colloid', '+compress', '+coreshell', '+dipole', '+diffraction', '+extra-dump',

stacks/pinot-noir/spack.yaml

@@ -92,6 +92,7 @@ spack:
         - intel-oneapi-tbb
         - jasper
         - kallisto ^hdf5 ~mpi
+        - kokkos
         - mafft
         - metis
         - muscle