Move definitions around, removes what does not compile

stacks/pinot-noir/definitions_stack.yaml

@@ -105,7 +105,6 @@ definitions:
   # Python packages
   # -------------------------------------------------------------------------
   - python_codes:
-      - bedtools2
       - bowtie2
       - cairo
       - mercurial
@@ -129,7 +128,6 @@ definitions:
       - py-pip
       - py-platformdirs
       - py-ply
-      - py-protobuf
       - py-pybind11
       - py-pyparsing
       - py-python-dateutil
@@ -147,22 +145,8 @@ definitions:
       - scons
       - snakemake
 
-  - python_blas_codes:
-      - boost ~~mpi
-      #- gmsh ~~mpi +hdf5 +cgns +eigen ~opencascade +openmp ~fltk ~med
-      - iq-tree
-      - py-biopython
-      - py-keras-preprocessing
-      - py-macs3
-      - py-matplotlib
-      - py-numpy
-      - py-opt-einsum
-      - py-pandas
-      - py-pybigwig
-      - py-xarray
-      - valgrind ~~mpi
-
   - gcc_python_codes:
+      - bedtools2
       - blast-plus
       - cistem  ^fftw ~~mpi
       - ctffind ^fftw ~~mpi
@@ -173,9 +157,23 @@ definitions:
       - mesa
       - mummer
       - node-js
+      - py-protobuf
       - rust
       - spades
 
+  - python_blas_codes:
+      - boost ~~mpi
+      #- gmsh ~~mpi +hdf5 +cgns +eigen ~opencascade +openmp ~fltk ~med
+      - iq-tree
+      - py-biopython
+      - py-keras-preprocessing
+      - py-numpy
+      - py-opt-einsum
+      - py-pandas
+      - py-pybigwig
+      - py-xarray
+      - valgrind ~~mpi
+
   - gcc_python_blas_codes:
       - caffe +python ^hdf5 ~mpi
       - gdb +tui +source-highlight +xz
@@ -184,6 +182,8 @@ definitions:
       - py-cryolobm
       - py-deeptools
       - py-h5py ~~mpi
+      - py-macs3
+      - py-matplotlib
       - py-pymol ^hdf5~mpi
       - py-scikit-learn
       - py-scipy
@@ -225,7 +225,6 @@ definitions:
       - arpack-ng ++mpi
       - hypre@2.31.0
       - mumps@5.6.2
-      - quantum-espresso
       - superlu-dist@8.2.1
 
   - gcc_mpi_blas_codes:
@@ -235,10 +234,14 @@ definitions:
       # - elmerfem +mumps +openmp +hypre
       - hpl
       - netlib-scalapack
+      - quantum-espresso
       # - trilinos
       # - vtk
       # - yambo ++mpi io=iotk,etsf-io
 
+  - nvhpc_mpi_blas_codes:
+      - quantum-espresso
+
   - mpi_blas_python_codes:
       - petsc
       - slepc

stacks/pinot-noir/spack_nvhpc.yaml

@@ -79,6 +79,12 @@ spack:
         - [$^mpi_nvhpc]
         - [$%compiler_nvhpc]
 
+    - matrix:
+        - [$nvhpc_mpi_blas_codes]
+        - [$^blas_nvhpc]
+        - [$^mpi_nvhpc]
+        - [$%compiler_nvhpc]
+
     - matrix:
         - [$mpi_blas_python_codes]
         - [$^blas_nvhpc]