ADD: views

env/merlin/spack.yaml

@@ -1,150 +1,229 @@
 spack:
-  definitions:
-  - compilers:
-    - '%gcc@12.1.0'
-  - compiler_pckg:
-    - atlas
-    - boost
-    - clapack
-    - clhep
-    - cuda
-    - eigen
-    - geant4
-    - gsl
-    - googletest
-    - hdf5~mpi
-    - kokkos
-    - libint tune=cp2k-lmax-6
-    - libxc
-    - libxsmm
-    - mpich
-    - nvhpc+mpi
-    - openblas threads=none
-    - openblas threads=openmp
-    - openmpi
-    - root
-    - superlu
-    - vtk
-  - EM_pckg:
-    - cistem
-    - ctffind
-    - motioncor2
-    - relion
-    - unblur
-  - librairies_pckg:
-    - alsa-lib
-    - gdrcopy
-    - giflib
-    - gmp
-    - hwloc
-    - isl
-    - knem
-    - libtasn1
-    - mpc
-    - mpfr
-    - nettle
-    - pmix
-    - ucx
-    - udunits
-    - wxwidgets
-    - x264
-    - zlib
-  - MX_pckg:
-    - cbflib
-    - lz4
-    - openbabel
-    - visit
-  - programming_pckg:
-    - autoconf
-    - automake
-    - binutils
-    - bison
-    - cmake
-    - cuda
-    - erlang
-    - gcc
-    - go
-    - intel-oneapi-mpi
-    - intel
-    - openjdk
-    - julia
-    - libtool
-    - lua
-    - m4
- #   - mathematica source needs to be provided
- #   - matlab source needs to be provided
-    - nasm
-    - perl
-    - nvhpc
-    - python
-    - py-tensorflow
-    - qt
-    - r
-    - tcl
-    - tk
-  - system_pckg:
-    - bash
-    - filebench
-    - ior
-    - mdtest
-#   - mxm not installable
-    - nmap
-    - patchelf
-    - unison
-  - tools_pckg:
-    - aria2
-    - asciidoc
-    - coreutils
-    - emacs
-    - ffmpeg
-#   - gams source needs to be provided
-    - gaussian
-    - gettext
-    - git
-    - global
-    - gnupg
-    - gnuplot
-    - gnutls
-    - hdfview
-    - krb5
-    - kubernetes
-    - namd
-    - ncview
-    - openjpeg
-    - openssl
-    - orca
-    - paraview
-    - texlive
-    - tmux
-    - uncrustify
-    - vim
-    - visit
-    - xmlto
-    - xz
   concretizer:
     unify: false
-  view: true
+  config:
+    build_stage:
+      - /scratch/spack-rhel7
+    install_tree:
+      root: /scratch/spack-rhel7/spack-install
+  definitions:
+    - compilers:
+        - '%gcc@12.1.0'
+    - compiler_pckg: &compiler_pckg
+        - atlas
+        - boost
+        - clapack
+        - clhep
+        - cuda
+        - eigen
+        - geant4
+        - gsl
+        - googletest
+        - hdf5~mpi
+        - hdf5+mpi
+        - kokkos
+        - libint tune=cp2k-lmax-6
+        - libxc
+        - libxsmm
+        - mpich
+        - nvhpc+mpi
+        - openblas threads=none
+        - openblas threads=openmp
+        - openmpi
+        - root
+        - superlu
+        - vtk
+    - cuda_pckg: &cuda_pckg
+        - cuda
+    - EM_pckg: &EM_pckg
+        - cistem
+        - ctffind
+        - motioncor2
+        - relion
+        - unblur
+    - librairies_pckg: &librairies_pckg
+        - alsa-lib
+        - gdrcopy
+        - giflib
+        - gmp
+        - hwloc
+        - isl
+        - knem
+        - libtasn1
+        - mpc
+        - mpfr
+        - nettle
+        - pmix
+        - ucx
+        - udunits
+        - wxwidgets
+        - x264
+        - zlib
+    - MX_pckg: &MX_pckg
+        - cbflib
+        - lz4
+        - openbabel
+        - visit
+    - HDF5_pckg: &HDF5_pckg
+        - alps
+        - h5hut+mpi
+        - hdf5-blosc
+        - ioapi
+        - netcdf-c
+        - netcdf-fortran
+        - netcdf-c +parallel-netcdf
+        - trilinos
+    - HDF5_serial_pckg: &HDF5_serial_pckg
+        - h5hut~mpi
+        - ncview
+    - MPI_pckg: &MPI_pckg
+        - amrex
+        - boxlib
+        - cp2k
+        - cpmd
+        - elegant
+        - elpa
+        - fftw
+        - gromacs
+        - lammps
+        - astra
+    - programming_pckg: &programming_pckg
+        - autoconf
+        - automake
+        - binutils
+        - bison
+        - cmake
+        - erlang
+        - gcc
+        - go
+        - intel-oneapi-mpi
+        - intel
+        - openjdk
+        - julia
+        - libtool
+        - lua
+        - m4
+        - nasm
+        - perl
+        - nvhpc
+        - python
+        - py-tensorflow
+        - qt
+        - r
+        - tcl
+        - tk
+    - system_pckg: &system_pckg
+        - bash
+        - filebench
+        - ior
+        - mdtest
+        - nmap
+        - patchelf
+        - unison
+    - tools_pckg: &tools_pckg
+        - aria2
+        - asciidoc
+        - coreutils
+        - emacs
+        - ffmpeg
+        - gaussian
+        - gettext
+        - git
+        - global
+        - gnupg
+        - gnuplot
+        - gnutls
+        - hdfview
+        - krb5
+        - kubernetes
+        - namd
+        - ncview
+        - openjpeg
+        - openssl
+        - orca
+        - paraview
+        - texlive
+        - tmux
+        - uncrustify
+        - vim
+        - visit
+        - xmlto
+        - xz
   include:
-  - sysconfigs/config.yaml
+    - sysconfigs/compilers.yaml
-  - sysconfigs/compilers.yaml
+    - sysconfigs/packages.yaml
-  - sysconfigs/packages.yaml
+    - sysconfigs/modules.yaml
-  - sysconfigs/modules.yaml
   specs:
     - matrix:
-      - [ $compiler_pckg ]
+        - - $compiler_pckg
-      - [ $compilers ]
+        - - $compilers
-    - matrix:
+  view:
-      - [ $EM_pckg ]
+    Compilers:
-      - [ $compilers ]
+      link: roots
-    - matrix:
+      link_type: symlink
-      - [ $MX_pckg ]
+      projections: &unified_projections
-      - [ $compilers ]
+        ^mpi: '{name}/{version}/{^mpi.name}/{^mpi.version}/{compiler.name}/{compiler.version}'
-    - matrix:
+        all: '{name}/{version}/{compiler.name}/{compiler.version}'
-      - [ $programming_pckg ]
+        ~mpi: '{name}_serial/{version}/{compiler.name}/{compiler.version}'
-      - [ $compilers ]
+      root: /afs/psi.ch/sys/spack-rhel7/Compilers
-    - matrix:
+      select: *compiler_pckg
-      - [ $system_pckg ]
+    cuda:
-      - [ $compilers ]
+      link: roots
-    - matrix:
+      link_type: symlink
-      - [ $tools_pckg ]
+      projections: *unified_projections
-      - [ $compilers ]
+      root: /afs/psi.ch/sys/spack-rhel7/cuda
+      select: *cuda_pckg
+    EM:
+      link: roots
+      link_type: symlink
+      projections: *unified_projections
+      root: /afs/psi.ch/sys/spack-rhel7/EM
+      select: *EM_pckg
+    HDF5:
+      link: roots
+      link_type: symlink
+      projections: *unified_projections
+      root: /afs/psi.ch/sys/spack-rhel7/HDF5
+      select: *HDF5_pckg
+    HDF5_serial:
+      link: roots
+      link_type: symlink
+      projections: *unified_projections
+      root: /afs/psi.ch/sys/spack-rhel7/HDF5_serial
+      select: *HDF5_serial_pckg
+    Librairies:
+      link: roots
+      link_type: symlink
+      projections: *unified_projections
+      root: /afs/psi.ch/sys/spack-rhel7/Librairies
+      select: *librairies_pckg
+    MK:
+      link: roots
+      link_type: symlink
+      projections: *unified_projections
+      root: /afs/psi.ch/sys/spack-rhel7/MK
+      select: *MX_pckg
+    MPI:
+      link: roots
+      link_type: symlink
+      projections: *unified_projections
+      root: /afs/psi.ch/sys/spack-rhel7/MPI
+      select: *MPI_pckg
+    Programming:
+      link: roots
+      link_type: symlink
+      projections: *unified_projections
+      root: /afs/psi.ch/sys/spack-rhel7/Programming
+      select: *programming_pckg
+    System:
+      link: roots
+      link_type: symlink
+      projections: *unified_projections
+      root: /afs/psi.ch/sys/spack-rhel7/System
+      select: *system_pckg
+    Tools:
+      link: roots
+      link_type: symlink
+      projections: *unified_projections
+      root: /afs/psi.ch/sys/spack-rhel7/Tools
+      select: *tools_pckg