Merge branch 'main' of gitlab.epfl.ch:SCITAS/software-stack/scitas-software-stacks

stacks/pinot-noir/packages_stack.yaml

 packages:
   all:
     require:
+      - spec: "^libiconv"
+        when: "^iconv"
+
       - spec: ^intel-oneapi-mpi
         when: '%oneapi ^mpi'
 
@@ -48,14 +51,15 @@ packages:
     - spec: '@5.4.10'
 
   hdf5:
-    prefer:
-    - spec: '@1.14.3'
     require:
+    - spec: '@1.14.3'
     - spec: '+hl +threadsafe +szip +cxx +fortran'
     - spec: '+ipo'
       when: '%gcc'
 
   hypre:
+    prefer:
+    - spec: '@2.31.0'
     require:
     - spec: '+unified-memory ~magma'
       when: '+cuda'
@@ -81,7 +85,7 @@ packages:
 
   openmpi:
     require:
-    - spec: 'fabrics=ofi,ucx,verbs schedulers=slurm ~rsh +romio romio-filesystem=gpfs +internal-pmix'
+    - spec: '@5.0.3 fabrics=ofi,ucx,verbs schedulers=slurm ~rsh +romio romio-filesystem=gpfs +internal-pmix'
     - spec: ^ucx +cuda
       when: +cuda
 
@@ -100,7 +104,7 @@ packages:
 
   ucx:
     require:
-    - spec: +rdmacm +rc +dc +ud +cma +verbs +vfs
+    - spec: +rdmacm +rc +dc +ud +cma +verbs
     - spec: +gdrcopy
       when: +cuda
 

stacks/pinot-noir/spack.yaml

@@ -27,6 +27,12 @@ spack:
     - blas_oneapi:
         - intel-oneapi-mkl@2024.1.0
 
+    - python_gcc:
+        - python@3.11.7
+
+    - python_oneapi:
+        - python@3.11.7
+
     # -------------------------------------------------------------------------
     # Core packages
     # -------------------------------------------------------------------------
@@ -41,7 +47,6 @@ spack:
         - gmp
         - gnuplot
         - gzip
-        - hwloc
         - imagemagick +ghostscript
         - intel-oneapi-advisor
         - intel-oneapi-inspector
@@ -94,8 +99,9 @@ spack:
         - voropp
 
     - gcc_serial_codes:
-        - stacks
+        - hwloc
         - libxc
+        - stacks
                     
     # -------------------------------------------------------------------------
     # Empty to specialize in environments
@@ -107,16 +113,16 @@ spack:
     # -------------------------------------------------------------------------
     - mpi_codes:
         - osu-micro-benchmarks +graphing
-        - hdf5 +mpi
+        - hdf5@1.14.3 +mpi
         - parmetis
 
     - blas_mpi_codes:
-        - hypre
-        - mumps
-        - superlu-dist
+        - hypre@2.31.0
+        - mumps@5.6.2
+        - superlu-dist@8.2.1
 
     - blas_mpi_python_codes:
-        - petsc +mpi
+        - petsc@3.21.1 +mpi
 
     # -------------------------------------------------------------------------
     # Generic definitions
@@ -188,14 +194,14 @@ spack:
         - [$blas_mpi_python_codes]
         - [$^blas_oneapi]
         - [$^mpi_oneapi]
-        - [^python]
+        - [$^python_oneapi]
         - [$%compiler_oneapi]
 
     - matrix:
         - [$blas_mpi_python_codes]
         - [$^blas_gcc]
         - [$^mpi_gcc]
-        - [^python]
+        - [$^python_gcc]
         - [$%compiler_gcc]
 
   view: false