Added amber@24

stacks/pinot-noir/definitions_stack.yaml

@@ -250,6 +250,7 @@ definitions:
 
   - gcc_mpi_blas_python_codes:
       - adios2
+      - amber +mpi +plumed +openmp
       - boost ++mpi
       - cgal
       - cp2k ++mpi +plumed +openmp smm=blas

stacks/pinot-noir/packages_kuma-h100.yaml

 packages:
+  amber:
+    require: ['+nccl']
+
   cp2k:
     require: ['+cuda', 'cuda_arch=90']
 

stacks/pinot-noir/packages_kuma-l40s.yaml

 packages:
   # ---------------------------------------------------------------------------
+  amber:
+    require: ['+nccl']
+
   cp2k:
     require: ['~cuda']