Reducing the numbers of kokkos and selecting the prefered version of lammps

stacks/pinot-noir/packages_kuma-h100.yaml

@@ -28,7 +28,7 @@ packages:
 
   kokkos:
     require:
-    - spec: '+cuda cuda_arch=90 +cuda_uvm +wrapper ~openmptarget'
+    - spec: '+cuda +cuda_lambda cuda_arch=90 +cuda_uvm +wrapper ~openmptarget'
       when: '%gcc'
 
   nvshmem:

stacks/pinot-noir/packages_kuma-l40s.yaml

@@ -28,7 +28,7 @@ packages:
 
   kokkos:
     require:
-    - spec: '+cuda cuda_arch=89 +cuda_uvm +wrapper ~openmptarget'
+    - spec: '+cuda +cuda_lambda cuda_arch=89 +cuda_uvm +wrapper ~openmptarget'
       when: '%gcc'
 
   nvshmem:

stacks/pinot-noir/packages_stack.yaml

@@ -80,19 +80,24 @@ packages:
     require: ['@1.10.2']
 
   kokkos:
-    prefer: ['+openmp', '+numactl', '+memkind', '~threads',
-    '+aggressive_vectorization']
+    require: ['+openmp', '+numactl', '+memkind', '~threads',
+             '+aggressive_vectorization', '@4.3.01']
 
   kokkos-kernel:
-    prefer: ['+openmp', '~threads']
+    prefer: ['+openmp', '~threads', '~ipo', '@4.3.01']
+
+  kokkos-nvcc-wrapper:
+    prefer: ['@4.3.01']
 
   lammps:
-    require: ['build_type=Release', '+asphere', '+atc', '+body', '+class2',
-    '+colloid', '+compress', '+coreshell', '+dipole', '+diffraction', '+extra-dump',
-    '+granular', '+h5md', '+kspace', '+latboltz', '+latte', '+lib', '+manybody',
-    '+mc', '+misc', '+molecule', '+mpi', '+mpiio', '+netcdf', '+peri', '~poems',
-    '+python', '+qeq', '+replica ', '+rigid', '+shock', '+ml-snap', '+srd',
-    '+voronoi', '+plumed', '+kokkos']
+    require: ['@20230802.3',
+              'build_type=Release', '+asphere', '+atc', '+body', '+class2',
+              '+colloid', '+compress', '+coreshell', '+dipole', '+diffraction',
+              '+extra-dump', '+granular', '+h5md', '+kspace', '+latboltz',
+              '+lib', '+manybody', '+mc', '+misc', '+molecule',
+              '+mpi', '+netcdf', '+peri', '~poems', '+python', '+qeq',
+              '+replica ', '+rigid', '+shock', '+ml-snap', '+srd', '+voronoi',
+              '+plumed', '+kokkos']
 
   libfabric:
     require:
@@ -130,6 +135,10 @@ packages:
   m4:
     require: ['+sigsegv']
 
+  magma:
+    # https://groups.google.com/a/icl.utk.edu/g/magma-user/c/l2XWTKmuBH0
+    require: ['~ipo']
+
   mbedtls:
     prefer: ['@3.3.0']
 
@@ -233,6 +242,9 @@ packages:
     require:
     - spec: '~python ++mpi +xdmf +ffmpeg'
 
+  xmlto:
+    require: ['@0.0.29']
+
   # ----------------------------------------------------------------------------
   # System dependencies
   # ----------------------------------------------------------------------------