Adding configs and missing files

stacks/pinot-noir/definitions_helvetios.yaml

+definitions: []

stacks/pinot-noir/packages_jed.yaml

@@ -4,7 +4,7 @@ packages:
     require:
       - "~rocm"
 
-      - spec: cuda_arch=90 target=icelake
+      - spec: cuda_arch=89,90 target=icelake
         when: '+cuda'
 
       - spec: '~cuda'
@@ -16,21 +16,21 @@ packages:
   # ---------------------------------------------------------------------------
   hypre:
     require:
-    - spec: '+cuda cuda_arch=90'
+    - spec: '+cuda cuda_arch=89,90'
       when: '%gcc'
 
   openmpi:
     require:
-      - spec: 'fabrics=hcoll +cuda cuda_arch=90 target=icelake'
+      - spec: 'fabrics=hcoll +cuda cuda_arch=89,90 target=icelake'
 
   petsc:
     require:
-    - spec: '+cuda cuda_arch=90'
+    - spec: '+cuda cuda_arch=89,90'
       when: '%gcc'
 
-#  py-torch:
-#    require:
-#    - spec: '+cuda cuda_arch=90 +nccl'
+  py-torch:
+    require:
+    - spec: '+cuda cuda_arch=89,90 +nccl +cudnn'
 
   quantum-espresso:
     require:
@@ -38,7 +38,7 @@ packages:
 
   ucx:
     require:
-      - spec: '+xpmem +cma +rdmacm +rc +ud +dc +verbs +ib_hw_tm +vfs +gdrcopy +cuda cuda_arch=90 target=icelake ~rocm'
+      - spec: '+xpmem +cma +rdmacm +rc +ud +dc +verbs +ib_hw_tm +vfs +gdrcopy +cuda cuda_arch=89,90 target=icelake ~rocm'
 
   # ---------------------------------------------------------------------------
   # Externals

stacks/pinot-noir/packages_stack.yaml

@@ -115,7 +115,7 @@ packages:
 
   petsc:
     require:
-    - spec: '+hypre +mumps +saws +scalapack +mpi'
+    - spec: '+hypre +mumps +saws +scalapack +mpi +suite-sparse'
 
   python:
     require:
@@ -123,6 +123,10 @@ packages:
     - spec: '+optimizations'
       when: '%gcc'
 
+  suite-sparse:
+    require:
+    - spec: '@7.3.1'
+
   tk:
     require: ['+xft', '+xss']
 
@@ -135,20 +139,26 @@ packages:
   # ----------------------------------------------------------------------------
   # System dependencies
   # ----------------------------------------------------------------------------
-  rdma-core:
+  egl:
     buildable: false
     externals:
-    - spec: 'rdma-core@47.1'
+    - spec: 'egl@21.3.4'
       prefix: /usr
 
-  slurm:
+  pmix:
     buildable: false
     externals:
-    - spec: 'slurm@23-11-7-1'
+    - spec: 'pmix@5.0.1'
       prefix: /usr
 
-  pmix:
+  rdma-core:
     buildable: false
     externals:
-    - spec: 'pmix@5.0.1'
+    - spec: 'rdma-core@47.1'
+      prefix: /usr
+
+  slurm:
+    buildable: false
+    externals:
+    - spec: 'slurm@23-11-7-1'
       prefix: /usr

stacks/pinot-noir/spack.yaml

@@ -63,6 +63,7 @@ spack:
         - parallel
         - picard
         - rclone
+        - rust
         - sbt
         - sratoolkit
         - subversion
@@ -114,7 +115,6 @@ spack:
         - intel-oneapi-mkl
         - libxc
         - ncview ^hdf5 ~mpi ^netcdf-c ~mpi ~parallel-netcdf
-        - rust
         - sox
         - stacks
 
@@ -272,15 +272,20 @@ spack:
         - slepc
 
     - gcc_mpi_blas_python_codes:
-        #- eman2 +mpi
+        # - eman2 +mpi
         - adios2
         - cp2k +mpi +plumed +openmp smm=blas
-        - fenics +parmetis +hdf5 +scotch +suite-sparse ~vtk ~trilinos
+        # - fenics +parmetis +hdf5 +scotch +suite-sparse ~vtk ~trilinos
+        - fenics-dolfinx +slepc
         - gromacs +mpi +plumed
         - lammps 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
         - opencv +vtk +python3
         - openfoam +metis
         - paraview +shared +python +hdf5 ~osmesa +opengl2 +egl
+        - py-fenics-basix
+        - py-fenics-dolfinx
+        - py-fenics-ffcx
+        - py-fenics-ufl
         - py-h5py
         - py-horovod
         - py-keras
@@ -320,7 +325,6 @@ spack:
         - $mpi_oneapi
         - $mpi_gcc
 
-
   specs:
     - matrix:
         - [$compilers_specs]