FIX: merlin env now software dependent
This commit is contained in:
Germann Elsa Sylvia
900
env/merlin/all/spack.yaml
vendored
Normal file
900
env/merlin/all/spack.yaml
vendored
Normal file
@@ -0,0 +1,900 @@
|
||||
spack:
|
||||
concretizer:
|
||||
unify: when_possible
|
||||
definitions:
|
||||
- mpi:
|
||||
- ^openmpi@4.1.4%gcc@8.3.0+cuda fabrics=ucx,xpmem,knem,ofi,cma,hcoll schedulers=slurm
|
||||
+pmi ^ucx@1.13.0 ^cuda@11.5.1 ^slurm@21-08-8-2 ^hwloc@2.7.1 ^knem@1.1.4 ^xpmem@2.6.5-36
|
||||
^pmix@4.1.2
|
||||
- python:
|
||||
- ^py-numpy@1.19.5%gcc@8.3.0 ^python@3.6.13%gcc@8.3.0
|
||||
- blas:
|
||||
- ^openblas%gcc@8.3.0
|
||||
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
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
prepend_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
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
prepend_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
|
||||
- clapack
|
||||
- boost
|
||||
- clhep
|
||||
- eigen
|
||||
- geant4
|
||||
- googletest
|
||||
- gsl
|
||||
- intel-oneapi-mpi
|
||||
- kokkos
|
||||
- libint
|
||||
- libxc
|
||||
- libxsmm
|
||||
- mpich
|
||||
- openblas
|
||||
- openmpi
|
||||
- root
|
||||
- superlu
|
||||
- vtk
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
set:
|
||||
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
||||
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
||||
${PACKAGE}_VERSION: '{version}'
|
||||
intel-oneapi-mpi:
|
||||
environment:
|
||||
prepend_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:
|
||||
prepend_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:
|
||||
prepend_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
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
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
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
prepend_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
|
||||
- trilinos
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
- HDF5_serial
|
||||
environment:
|
||||
prepend_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
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
- HDF5_serial
|
||||
environment:
|
||||
prepend_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
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
prepend_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
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
prepend_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+mpi
|
||||
- python
|
||||
- py-tensorflow
|
||||
- qt
|
||||
- r
|
||||
- tcl
|
||||
- tk
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
prepend_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
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
prepend_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
|
||||
exclude:
|
||||
- '%clang@12.0.0'
|
||||
- '%dpcpp@2022.1.0'
|
||||
- '%gcc@8.3.0'
|
||||
- '%gcc@12.1.0'
|
||||
- '%intel@2021.6.0'
|
||||
- '%nvhpc@21.5'
|
||||
- '%oneapi@2022.1.0'
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
prepend_path:
|
||||
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Tools
|
||||
set:
|
||||
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
||||
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
||||
${PACKAGE}_VERSION: '{version}'
|
||||
projections:
|
||||
all: modulefiles/{compiler.name}/{compiler.version}/{name}/{version}
|
||||
^mpi: modulefiles/{compiler.name}/{compiler.version}/{name}/{version}/{^mpi.name}/{^mpi.version}
|
||||
~mpi: modulefiles/{compiler.name}/{compiler.version}/{name}_serial/{version}
|
||||
threads=openmp: modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}
|
||||
prefix_inspections:
|
||||
? ''
|
||||
: - CMAKE_PREFIX_PATH
|
||||
bin:
|
||||
- PATH
|
||||
include:
|
||||
- C_INCLUDE_PATH
|
||||
- CPLUS_INCLUDE_PATH
|
||||
lib:
|
||||
- LIBRARY_PATH
|
||||
- LD_LIBRARY_PATH
|
||||
lib/pkgconfig:
|
||||
- PKG_CONFIG_PATH
|
||||
lib64:
|
||||
- LIBRARY_PATH
|
||||
- LD_LIBRARY_PATH
|
||||
lib64/pkgconfig:
|
||||
- PKG_CONFIG_PATH
|
||||
man:
|
||||
- MANPATH
|
||||
share/aclocal:
|
||||
- ACLOCAL_PATH
|
||||
share/man:
|
||||
- MANPATH
|
||||
share/pkgconfig:
|
||||
- PKG_CONFIG_PATH
|
||||
#<<<
|
||||
specs:
|
||||
# - matrix:
|
||||
# - [alps, geant4]
|
||||
# - ['%gcc@8.3.0']
|
||||
# - [$mpi]
|
||||
# - [$blas]
|
||||
# - [^boost@1.63.0+python+numpy cxxstd=11 +icu ^icu4c cxxstd=11]
|
||||
# - [$python]
|
||||
# - matrix:
|
||||
# - [gromacs, h5hut+mpi, lammps, visit]
|
||||
# - ['%gcc@12.1.0']
|
||||
# - [$mpi]
|
||||
# - [$blas]
|
||||
# - [$python]
|
||||
# - matrix:
|
||||
# - [cp2k@9.1]
|
||||
# - ['%oneapi']
|
||||
- matrix:
|
||||
- [relion +cuda]
|
||||
- ['%nvhpc']
|
||||
- [^openmpi%nvhpc]
|
||||
- [^openblas]
|
||||
- [^llvm%gcc@8.3.0]
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- slurm
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- atlas
|
||||
- clapack
|
||||
- boost
|
||||
- clhep
|
||||
- eigen
|
||||
- geant4
|
||||
- googletest
|
||||
- gsl
|
||||
- intel-oneapi-mpi
|
||||
- kokkos
|
||||
- libint
|
||||
- libxc
|
||||
- libxsmm
|
||||
- mpich
|
||||
- openblas
|
||||
- openmpi
|
||||
- root
|
||||
- superlu
|
||||
- vtk
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- cuda
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- cistem
|
||||
- ctffind
|
||||
- motioncor2
|
||||
- relion
|
||||
- unblur
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- alps
|
||||
- h5hut+mpi
|
||||
- hdf5-blosc
|
||||
- ioapi
|
||||
- hdf5+mpi
|
||||
- netcdf-c
|
||||
- netcdf-fortran
|
||||
- netcdf-c
|
||||
- trilinos
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- hdf5~mpi
|
||||
- h5hut~mpi
|
||||
- ncview
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- alsa-lib
|
||||
- gdrcopy
|
||||
- giflib
|
||||
- gmp
|
||||
- hwloc
|
||||
- isl
|
||||
- knem
|
||||
- libtasn1
|
||||
- mpc
|
||||
- mpfr
|
||||
- nettle
|
||||
- pmix
|
||||
- ucx
|
||||
- udunits
|
||||
- wxwidgets
|
||||
- x264
|
||||
- zlib
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- amrex
|
||||
- boxlib
|
||||
- cp2k
|
||||
- cpmd
|
||||
- elegant
|
||||
- elpa
|
||||
- fftw
|
||||
- gromacs
|
||||
- lammps
|
||||
- astra
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- cbflib
|
||||
- lz4
|
||||
- openbabel
|
||||
- visit
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- autoconf
|
||||
- automake
|
||||
- binutils
|
||||
- bison
|
||||
- cmake
|
||||
- erlang
|
||||
- gcc
|
||||
- go
|
||||
- intel
|
||||
- openjdk
|
||||
- julia
|
||||
- libtool
|
||||
- lua
|
||||
- m4
|
||||
- nasm
|
||||
- perl
|
||||
- nvhpc+mpi
|
||||
- python
|
||||
- py-tensorflow
|
||||
- qt
|
||||
- r
|
||||
- tcl
|
||||
- tk
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
select:
|
||||
- bash
|
||||
- filebench
|
||||
- ior
|
||||
- mdtest
|
||||
- nmap
|
||||
- patchelf
|
||||
- unison
|
||||
link_type: symlink
|
||||
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: '{name}_OMP/{version}/{compiler.name}/{compiler.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
|
||||
Reference in New Issue
Block a user