ADD: new modules specific creation processes & rename Compilers to Compiler

env/merlin/spack.yaml

@@ -13,24 +13,21 @@ spack:
         - '%gcc@12.1.0'
     - Batchsystem_pckgs: &Batchsystem_pckgs
         - slurm
-    - Compilers_pckgs: &Compilers_pckgs
+    - Compiler_pckgs: &Compiler_pckgs
         - atlas
         - boost
         - clapack
         - clhep
-        - cuda
         - eigen
         - geant4
         - gsl
         - googletest
-        - hdf5~mpi
+        - intel-oneapi-mpi
-        - hdf5+mpi
         - kokkos
         - libint tune=cp2k-lmax-6
         - libxc
         - libxsmm
         - mpich
-        - nvhpc+mpi
         - openblas threads=none
         - openblas threads=openmp
         - openmpi
@@ -100,7 +97,6 @@ spack:
         - erlang
         - gcc
         - go
-        - intel-oneapi-mpi
         - intel
         - openjdk
         - julia
@@ -174,25 +170,52 @@ spack:
             - '{name}'
           environment:
             append_path:
+              # equivalent to module-addgroup Batchsystem
               MODULEPATH: *Batchsystem_module_root
             set:
               ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
               ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
-              ${PACKAGE}_VERSION: '{version}'
+        slurm:
+          environment:
+            prepend_path:
+              SLURM_CONF: '/etc/slurm/slurm.conf'
         projections: &unified_modules_projections
           all: modulefiles/{compiler.name}/{compiler.version}/{name}/{version}
           ^mpi: 'modulefiles/{compiler.name}/{compiler.version}/{name}/{version}/{^mpi.name}/{^mpi.version}'
           ~mpi: 'modulefiles/{compiler.name}/{compiler.version}/{name}_serial/{version}'
-    Compilers:
+          threads=openmp: 'modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}'
-      use_view: Compilers
+    MPI:
+      use_view: MPI
       arch_folder: false
       enable:
       - tcl
       roots:
-        tcl: /afs/psi.ch/sys/spack-rhel7/Compilers
+        tcl: &MPI_module_root /afs/psi.ch/sys/spack-rhel7/MPI
       tcl:
         blacklist_implicits: true
-        include: *Compilers_pckgs
+        include: *MPI_pckgs
+        all:
+          autoload: direct
+          conflict:
+            - '{name}'
+          environment:
+            append_path:
+              MODULEPATH: *MPI_module_root
+            set:
+              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
+              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
+              ${PACKAGE}_VERSION: '{version}'
+        projections: *unified_modules_projections
+    Compiler:
+      use_view: Compiler
+      arch_folder: false
+      enable:
+      - tcl
+      roots:
+        tcl: /afs/psi.ch/sys/spack-rhel7/Compiler
+      tcl:
+        blacklist_implicits: true
+        include: *Compiler_pckgs
         all:
           autoload: direct
           conflict:
@@ -202,6 +225,49 @@ spack:
               ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
               ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
               ${PACKAGE}_VERSION: '{version}'
+        intel-oneapi-mpi:
+          environment:
+            append_path:
+              # equivalent to module-addgroup MPI
+              MODULEPATH: *MPI_module_root
+            set:
+              MPIFC: 'mpiifort'
+              MPIFORTRAN: 'mpiifort'
+              MPIEXEC: 'mpiexec.hydra'
+              MPIRUN: 'mpirun'
+              I_MPI_ICC: 'mpiicc'
+              I_MPI_CXX: 'mpiicpc'
+              I_MPI_F77: 'mpiifort'
+              I_MPI_F90: 'mpiifort'
+              I_MPI_FC: 'mpiifort'
+        mpich:
+          environment:
+            append_path:
+              # equivalent to module-addgroup MPI
+              MODULEPATH: *MPI_module_root
+            set:
+              MPIFC: ${prefix}/bin/mpif90
+              MPIFORTRAN: ${prefix}/bin/mpif90
+              MPIEXEC: ${prefix}/bin/mpiexec
+              MPIRUN: ${prefix}/bin/mpirun
+        openblas:
+          environment:
+            set:
+              BLASLIB: ${prefix}/libopenblas.a
+        openmpi:
+          environment:
+            append_path:
+              # equivalent to module-addgroup MPI
+              MODULEPATH: *MPI_module_root
+            set:
+              MPIFC: ${prefix}/bin/mpif90
+              MPIFORTRAN: ${prefix}/bin/mpif90
+              MPIEXEC: ${prefix}/bin/mpiexec
+              MPIRUN: ${prefix}/bin/mpirun
+        root:
+          environment:
+            set:
+              ROOTSYS: ${prefix}
         projections: *unified_modules_projections
     Cuda:
       use_view: Cuda
@@ -219,11 +285,12 @@ spack:
             - '{name}'
           environment:
             append_path:
+              # equivalent to module-addgroup cuda
               MODULEPATH: *Cuda_module_root
             set:
               ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
               ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
-              ${PACKAGE}_VERSION: '{version}'
+              ${PACKAGE}_PATH: '{prefix}'
         projections: *unified_modules_projections
     EM:
       use_view: EM
@@ -264,11 +331,12 @@ spack:
             - 'HDF5_serial'
           environment:
             append_path:
+              # equivalent to module-addgroup HDF5
               MODULEPATH: *HDF5_module_root
             set:
               ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
               ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
-              ${PACKAGE}_VERSION: '{version}'
+              ${PACKAGE}_ROOT: '{prefix}'
         projections: *unified_modules_projections
     HDF5_serial:
       use_view: HDF5_serial
@@ -287,11 +355,12 @@ spack:
             - 'HDF5_serial'
           environment:
             append_path:
+              # equivalent to module-addgroup HDF5_serial
               MODULEPATH: *HDF5_serial_module_root
             set:
               ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
               ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
-              ${PACKAGE}_VERSION: '{version}'
+              ${PACKAGE}_ROOT: '{prefix}'
         projections: *unified_modules_projections
     Librairies:
       use_view: Librairies
@@ -315,28 +384,6 @@ spack:
               ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
               ${PACKAGE}_VERSION: '{version}'
         projections: *unified_modules_projections
-    MPI:
-      use_view: MPI
-      arch_folder: false
-      enable:
-      - tcl
-      roots:
-        tcl: &MPI_module_root /afs/psi.ch/sys/spack-rhel7/MPI
-      tcl:
-        blacklist_implicits: true
-        include: *MPI_pckgs
-        all:
-          autoload: direct
-          conflict:
-            - '{name}'
-          environment:
-            append_path:
-              MODULEPATH: *MPI_module_root
-            set:
-              ${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
-              ${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
-              ${PACKAGE}_VERSION: '{version}'
-        projections: *unified_modules_projections
     MX:
       use_view: MX
       arch_folder: false
@@ -454,8 +501,31 @@ spack:
 #<<<
   specs:
     - matrix:
-        - - $Compilers_pckgs
+        - - $Batchsystem_pckgs
         - - $compilers
+      exclude:
+      - slurm%oneapi
+    - matrix:
+        - - $Compiler_pckgs
+        - - $compilers
+      exclude:
+      - atlas%oneapi
+      - libxsmm%gcc
+      - clapack%oneapi
+      - clhep%oneapi
+      - cuda%oneapi
+      - eigen%oneapi
+      - geant4%oneapi
+      - googletest%oneapi
+      - kokkos%oneapi
+      - libint%gcc tune=cp2k-lmax-6
+      - libxc%gcc
+      - libxsm%gcc
+      - nvhpc%oneapi+mpi
+      - openblas threads=none
+      - openblas%oneapi threads=openmp
+      - root%oneapi
+      - superlu%oneapi
   view:
     Batchsystem:
       link: roots
@@ -464,14 +534,15 @@ spack:
         ^mpi: '{name}/{version}/{^mpi.name}/{^mpi.version}/{compiler.name}/{compiler.version}'
         all: '{name}/{version}/{compiler.name}/{compiler.version}'
         ~mpi: '{name}_serial/{version}/{compiler.name}/{compiler.version}'
+        threads=openmp: 'modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}'
       root: /afs/psi.ch/sys/spack-rhel7/Batchsystem
       select: *Batchsystem_pckgs
-    Compilers:
+    Compiler:
       link: roots
       link_type: symlink
       projections: *unified_projections
-      root: /afs/psi.ch/sys/spack-rhel7/Compilers
+      root: /afs/psi.ch/sys/spack-rhel7/Compiler
-      select: *Compilers_pckgs
+      select: *Compiler_pckgs
     Cuda:
       link: roots
       link_type: symlink