From 6de2d5f18470e83f188856009d59dc67fa79dd56 Mon Sep 17 00:00:00 2001 From: Germann Elsa Sylvia Date: Mon, 22 Aug 2022 14:23:14 +0200 Subject: [PATCH] ADD: views --- env/merlin/spack.yaml | 367 +++++++++++++++++++++++++----------------- 1 file changed, 223 insertions(+), 144 deletions(-) diff --git a/env/merlin/spack.yaml b/env/merlin/spack.yaml index f47c53a..60ce5e9 100644 --- a/env/merlin/spack.yaml +++ b/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/packages.yaml - - sysconfigs/modules.yaml + - sysconfigs/compilers.yaml + - sysconfigs/packages.yaml + - sysconfigs/modules.yaml specs: - matrix: - - [ $compiler_pckg ] - - [ $compilers ] - - matrix: - - [ $EM_pckg ] - - [ $compilers ] - - matrix: - - [ $MX_pckg ] - - [ $compilers ] - - matrix: - - [ $programming_pckg ] - - [ $compilers ] - - matrix: - - [ $system_pckg ] - - [ $compilers ] - - matrix: - - [ $tools_pckg ] - - [ $compilers ] \ No newline at end of file + - - $compiler_pckg + - - $compilers + view: + Compilers: + link: roots + link_type: symlink + projections: &unified_projections + ^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}' + root: /afs/psi.ch/sys/spack-rhel7/Compilers + select: *compiler_pckg + cuda: + link: roots + link_type: symlink + projections: *unified_projections + 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 \ No newline at end of file