942 lines
26 KiB
YAML
942 lines
26 KiB
YAML
spack:
|
|
concretizer:
|
|
unify: false
|
|
definitions:
|
|
- Batchsystem_pckgs:
|
|
- slurm
|
|
- Compiler_pckgs:
|
|
- atlas
|
|
- boost
|
|
- clapack
|
|
- clhep
|
|
- eigen
|
|
- geant4
|
|
- gsl
|
|
- googletest
|
|
- intel-oneapi-mpi
|
|
- kokkos
|
|
- libint tune=cp2k-lmax-6
|
|
- libxc
|
|
- libxsmm
|
|
- mpich
|
|
- openblas threads=none
|
|
- openblas threads=openmp
|
|
- openmpi
|
|
- root
|
|
- superlu
|
|
- vtk
|
|
- Cuda_pckgs:
|
|
- cuda
|
|
- EM_pckgs:
|
|
- cistem
|
|
- ctffind
|
|
- motioncor2
|
|
- relion
|
|
- unblur
|
|
- Librairies_pckgs:
|
|
- alsa-lib
|
|
- gdrcopy
|
|
- giflib
|
|
- gmp
|
|
- hwloc
|
|
- isl
|
|
- knem
|
|
- libtasn1
|
|
- mpc
|
|
- mpfr
|
|
- nettle
|
|
- pmix
|
|
- ucx
|
|
- udunits
|
|
- wxwidgets
|
|
- x264
|
|
- zlib
|
|
- MX_pckgs:
|
|
- cbflib
|
|
- lz4
|
|
- openbabel
|
|
- visit
|
|
- HDF5_pckgs:
|
|
- alps
|
|
- h5hut+mpi
|
|
- hdf5-blosc
|
|
- ioapi
|
|
- hdf5+mpi
|
|
- netcdf-c
|
|
- netcdf-fortran
|
|
- netcdf-c +parallel-netcdf
|
|
- trilinos
|
|
- HDF5_serial_pckgs:
|
|
- hdf5~mpi
|
|
- h5hut~mpi
|
|
- ncview
|
|
- MPI_pckgs:
|
|
- amrex
|
|
- boxlib
|
|
- cp2k
|
|
- cpmd
|
|
- elegant
|
|
- elpa
|
|
- fftw
|
|
- gromacs
|
|
- lammps
|
|
- astra
|
|
- Programming_pckgs:
|
|
- autoconf
|
|
- automake
|
|
- binutils
|
|
- bison
|
|
- cmake
|
|
- erlang
|
|
- gcc
|
|
- go
|
|
- intel
|
|
- openjdk
|
|
- julia
|
|
- libtool
|
|
- lua
|
|
- m4
|
|
- nasm
|
|
- perl
|
|
- nvhpc
|
|
- python
|
|
- py-tensorflow
|
|
- qt
|
|
- r
|
|
- tcl
|
|
- tk
|
|
- System_pckgs:
|
|
- bash
|
|
- filebench
|
|
- ior
|
|
- mdtest
|
|
- nmap
|
|
- patchelf
|
|
- unison
|
|
- Tools_pckgs:
|
|
- 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
|
|
#>>> modules.yaml
|
|
modules:
|
|
Batchsystem:
|
|
use_view: Batchsystem
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/Batchsystem
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- slurm
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Batchsystem
|
|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
slurm:
|
|
environment:
|
|
prepend_path:
|
|
SLURM_CONF: /etc/slurm/slurm.conf
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
MPI:
|
|
use_view: MPI
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/MPI
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- amrex
|
|
- boxlib
|
|
- cp2k
|
|
- cpmd
|
|
- elegant
|
|
- elpa
|
|
- fftw
|
|
- gromacs
|
|
- lammps
|
|
- astra
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
|
|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
Compiler:
|
|
use_view: Compiler
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/Compiler
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- atlas
|
|
- boost
|
|
- clapack
|
|
- clhep
|
|
- eigen
|
|
- geant4
|
|
- gsl
|
|
- googletest
|
|
- intel-oneapi-mpi
|
|
- kokkos
|
|
- libint tune=cp2k-lmax-6
|
|
- libxc
|
|
- libxsmm
|
|
- mpich
|
|
- openblas threads=none
|
|
- openblas threads=openmp
|
|
- openmpi
|
|
- root
|
|
- superlu
|
|
- vtk
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
intel-oneapi-mpi:
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
|
|
set:
|
|
I_MPI_CXX: mpiicpc
|
|
I_MPI_F77: mpiifort
|
|
I_MPI_F90: mpiifort
|
|
I_MPI_FC: mpiifort
|
|
I_MPI_ICC: mpiicc
|
|
MPIEXEC: mpiexec.hydra
|
|
MPIFC: mpiifort
|
|
MPIFORTRAN: mpiifort
|
|
MPIRUN: mpirun
|
|
mpich:
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
|
|
set:
|
|
MPIEXEC: ${prefix}/bin/mpiexec
|
|
MPIFC: ${prefix}/bin/mpif90
|
|
MPIFORTRAN: ${prefix}/bin/mpif90
|
|
MPIRUN: ${prefix}/bin/mpirun
|
|
openblas:
|
|
environment:
|
|
set:
|
|
BLASLIB: ${prefix}/libopenblas.a
|
|
openmpi:
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
|
|
set:
|
|
MPIEXEC: ${prefix}/bin/mpiexec
|
|
MPIFC: ${prefix}/bin/mpif90
|
|
MPIFORTRAN: ${prefix}/bin/mpif90
|
|
MPIRUN: ${prefix}/bin/mpirun
|
|
root:
|
|
environment:
|
|
set:
|
|
ROOTSYS: ${prefix}
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
Cuda:
|
|
use_view: Cuda
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/cuda
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- cuda
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/cuda
|
|
prepend_path:
|
|
${PACKAGE}_PATH: '{prefix}'
|
|
LIBRARY_PATH: '{prefix}/targets/x86_64-linux/lib/stubs'
|
|
set:
|
|
${PACKAGE}_DIR: '{prefix}'
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_PATH: '{prefix}'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
EM:
|
|
use_view: EM
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/EM
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- cistem
|
|
- ctffind
|
|
- motioncor2
|
|
- relion
|
|
- unblur
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/EM
|
|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
HDF5:
|
|
use_view: HDF5
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/HDF5
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- alps
|
|
- h5hut+mpi
|
|
- hdf5-blosc
|
|
- ioapi
|
|
- hdf5+mpi
|
|
- netcdf-c
|
|
- netcdf-fortran
|
|
- netcdf-c +parallel-netcdf
|
|
- trilinos
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
- HDF5_serial
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/HDF5
|
|
set:
|
|
${PACKAGE}_ROOT: '{prefix}'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
HDF5_serial:
|
|
use_view: HDF5_serial
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/HDF5_serial
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- hdf5~mpi
|
|
- h5hut~mpi
|
|
- ncview
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
- HDF5_serial
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/HDF5_serial
|
|
set:
|
|
${PACKAGE}_DIR: '{prefix}'
|
|
${PACKAGE}_HOME: '{prefix}'
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib64'
|
|
${PACKAGE}_PREFIX: '{prefix}'
|
|
${PACKAGE}_ROOT: '{prefix}'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
Librairies:
|
|
use_view: Librairies
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/Librairies
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- alsa-lib
|
|
- gdrcopy
|
|
- giflib
|
|
- gmp
|
|
- hwloc
|
|
- isl
|
|
- knem
|
|
- libtasn1
|
|
- mpc
|
|
- mpfr
|
|
- nettle
|
|
- pmix
|
|
- ucx
|
|
- udunits
|
|
- wxwidgets
|
|
- x264
|
|
- zlib
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Librairies
|
|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
MX:
|
|
use_view: MX
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/MX
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- cbflib
|
|
- lz4
|
|
- openbabel
|
|
- visit
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MX
|
|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
Programming:
|
|
use_view: Programming
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/Programming
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- autoconf
|
|
- automake
|
|
- binutils
|
|
- bison
|
|
- cmake
|
|
- erlang
|
|
- gcc
|
|
- go
|
|
- intel
|
|
- openjdk
|
|
- julia
|
|
- libtool
|
|
- lua
|
|
- m4
|
|
- nasm
|
|
- perl
|
|
- nvhpc
|
|
- python
|
|
- py-tensorflow
|
|
- qt
|
|
- r
|
|
- tcl
|
|
- tk
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Programming
|
|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
nvhpc:
|
|
environment:
|
|
set:
|
|
ARCH_VERSION: $NVARCH/'$env(PGI_VERSION)'
|
|
CPP: '{prefix}/$ARCH_VERSION/compilers/bin/nvprepro'
|
|
F90: '{prefix}/$ARCH_VERSION/compilers/bin/pgf90'
|
|
F95: '{prefix}/$ARCH_VERSION/compilers/bin/pgf95'
|
|
FORTRAN: '{prefix}/$ARCH_VERSION/compilers/bin/pgfortran'
|
|
NVARCH: '{arch}'
|
|
NVCOMPILERS: '{prefix}'
|
|
PGI: '{prefix}'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
System:
|
|
use_view: System
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/System
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- bash
|
|
- filebench
|
|
- ior
|
|
- mdtest
|
|
- nmap
|
|
- patchelf
|
|
- unison
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/System
|
|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
Tools:
|
|
use_view: Tools
|
|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/Tools
|
|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- 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
|
|
all:
|
|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
append_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Tools
|
|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
|
${PACKAGE}_VERSION: '{version}'
|
|
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}
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
prefix_inspections:
|
|
? ''
|
|
: - CMAKE_PREFIX_PATH
|
|
bin:
|
|
- PATH
|
|
include:
|
|
- C_INCLUDE_PATH
|
|
- CPLUS_INCLUDE_PATH
|
|
lib:
|
|
- LIBRARY_PATH
|
|
- LD_LIBRARY_PATH
|
|
lib/pkgconfig:
|
|
- PKG_CONFIG_PATH
|
|
lib64:
|
|
- LIBRARY_PATH
|
|
- LD_LIBRARY_PATH
|
|
lib64/pkgconfig:
|
|
- PKG_CONFIG_PATH
|
|
man:
|
|
- MANPATH
|
|
share/aclocal:
|
|
- ACLOCAL_PATH
|
|
share/man:
|
|
- MANPATH
|
|
share/pkgconfig:
|
|
- PKG_CONFIG_PATH
|
|
#<<<
|
|
specs:
|
|
- matrix:
|
|
- [cmake, cuda, fftw, gromacs, kokkos, mpich, nvhpc, openblas threads=none, openblas
|
|
threads=openmp, python, root, slurm, gsl]
|
|
- ['%gcc']
|
|
- matrix:
|
|
- [boost]
|
|
- ['%clang', '%gcc', '%nvhpc', '%oneapi']
|
|
- matrix:
|
|
- [hdf5+mpi, hdf5~mpi, netcdf-c, netcdf-fortran, netcdf-c +parallel-netcdf, openmpi]
|
|
- ['%gcc', '%nvhpc', '%oneapi']
|
|
- intel-oneapi-mpi%oneapi
|
|
view:
|
|
Batchsystem:
|
|
root: /afs/psi.ch/sys/spack-rhel7/Batchsystem
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- slurm
|
|
link_type: symlink
|
|
link: roots
|
|
Compiler:
|
|
root: /afs/psi.ch/sys/spack-rhel7/Compiler
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- atlas
|
|
- boost
|
|
- clapack
|
|
- clhep
|
|
- eigen
|
|
- geant4
|
|
- gsl
|
|
- googletest
|
|
- intel-oneapi-mpi
|
|
- kokkos
|
|
- libint tune=cp2k-lmax-6
|
|
- libxc
|
|
- libxsmm
|
|
- mpich
|
|
- openblas threads=none
|
|
- openblas threads=openmp
|
|
- openmpi
|
|
- root
|
|
- superlu
|
|
- vtk
|
|
link_type: symlink
|
|
link: roots
|
|
Cuda:
|
|
root: /afs/psi.ch/sys/spack-rhel7/cuda
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- cuda
|
|
link_type: symlink
|
|
link: roots
|
|
EM:
|
|
root: /afs/psi.ch/sys/spack-rhel7/EM
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- cistem
|
|
- ctffind
|
|
- motioncor2
|
|
- relion
|
|
- unblur
|
|
link_type: symlink
|
|
link: roots
|
|
HDF5:
|
|
root: /afs/psi.ch/sys/spack-rhel7/HDF5
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- alps
|
|
- h5hut+mpi
|
|
- hdf5-blosc
|
|
- ioapi
|
|
- hdf5+mpi
|
|
- netcdf-c
|
|
- netcdf-fortran
|
|
- netcdf-c +parallel-netcdf
|
|
- trilinos
|
|
link_type: symlink
|
|
link: roots
|
|
HDF5_serial:
|
|
root: /afs/psi.ch/sys/spack-rhel7/HDF5_serial
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- hdf5~mpi
|
|
- h5hut~mpi
|
|
- ncview
|
|
link_type: symlink
|
|
link: roots
|
|
Librairies:
|
|
root: /afs/psi.ch/sys/spack-rhel7/Librairies
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- alsa-lib
|
|
- gdrcopy
|
|
- giflib
|
|
- gmp
|
|
- hwloc
|
|
- isl
|
|
- knem
|
|
- libtasn1
|
|
- mpc
|
|
- mpfr
|
|
- nettle
|
|
- pmix
|
|
- ucx
|
|
- udunits
|
|
- wxwidgets
|
|
- x264
|
|
- zlib
|
|
link_type: symlink
|
|
link: roots
|
|
MPI:
|
|
root: /afs/psi.ch/sys/spack-rhel7/MPI
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- amrex
|
|
- boxlib
|
|
- cp2k
|
|
- cpmd
|
|
- elegant
|
|
- elpa
|
|
- fftw
|
|
- gromacs
|
|
- lammps
|
|
- astra
|
|
link_type: symlink
|
|
link: roots
|
|
MX:
|
|
root: /afs/psi.ch/sys/spack-rhel7/MX
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- cbflib
|
|
- lz4
|
|
- openbabel
|
|
- visit
|
|
link_type: symlink
|
|
link: roots
|
|
Programming:
|
|
root: /afs/psi.ch/sys/spack-rhel7/Programming
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- autoconf
|
|
- automake
|
|
- binutils
|
|
- bison
|
|
- cmake
|
|
- erlang
|
|
- gcc
|
|
- go
|
|
- intel
|
|
- openjdk
|
|
- julia
|
|
- libtool
|
|
- lua
|
|
- m4
|
|
- nasm
|
|
- perl
|
|
- nvhpc
|
|
- python
|
|
- py-tensorflow
|
|
- qt
|
|
- r
|
|
- tcl
|
|
- tk
|
|
link_type: symlink
|
|
link: roots
|
|
System:
|
|
root: /afs/psi.ch/sys/spack-rhel7/System
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- bash
|
|
- filebench
|
|
- ior
|
|
- mdtest
|
|
- nmap
|
|
- patchelf
|
|
- unison
|
|
link_type: symlink
|
|
link: roots
|
|
Tools:
|
|
root: /afs/psi.ch/sys/spack-rhel7/Tools
|
|
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}'
|
|
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
|
select:
|
|
- 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
|
|
link_type: symlink
|
|
link: roots
|