638 lines
18 KiB
YAML
638 lines
18 KiB
YAML
spack:
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concretizer:
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unify: false
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definitions:
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- Compilers: &Compilers
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- '%clang@12.0.0'
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- '%dpcpp@2022.1.0'
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- '%gcc@12.1.0'
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- '%intel@2021.6.0'
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- '%nvhpc@21.5'
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- '%oneapi@2022.1.0'
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# Careful!! Any external packages shouldn't be placed here, otherwise there is a possibility
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# they'll end with a module pointing to empty paths!!
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- Batchsystem_pckgs: &Batchsystem_pckgs
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- slurm
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- Compiler_pckgs: &Compiler_pckgs
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- atlas
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- boost
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- clapack
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- clhep
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- eigen
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- geant4
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- googletest
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- gsl
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- intel-oneapi-mpi
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- kokkos
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- libint tune=cp2k-lmax-6
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- libxc
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- libxsmm
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- mpich
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- openblas threads=none
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- openblas threads=openmp
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- openmpi
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- root
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- superlu
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- vtk
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- Cuda_pckgs: &Cuda_pckgs
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- cuda
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- EM_pckgs: &EM_pckgs
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- cistem
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- ctffind
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- motioncor2
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- relion
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- unblur
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- Librairies_pckgs: &Librairies_pckgs
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- alsa-lib
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- gdrcopy
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- giflib
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- gmp
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- hwloc
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- isl
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- knem
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- libtasn1
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- mpc
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- mpfr
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- nettle
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- pmix
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- ucx
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- udunits
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- wxwidgets
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- x264
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- zlib
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- MX_pckgs: &MX_pckgs
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- cbflib
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- lz4
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- openbabel
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- visit
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- HDF5_pckgs: &HDF5_pckgs
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- alps
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- h5hut+mpi
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- hdf5-blosc
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- ioapi
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- hdf5+mpi
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- netcdf-c
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- netcdf-fortran
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- netcdf-c +parallel-netcdf
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- trilinos
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- HDF5_serial_pckgs: &HDF5_serial_pckgs
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- hdf5~mpi
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- h5hut~mpi
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- ncview
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- MPI_pckgs: &MPI_pckgs
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- amrex
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- boxlib
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- cp2k
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- cpmd
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- elegant
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- elpa
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- fftw
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- gromacs
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- lammps
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- astra
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- Programming_pckgs: &Programming_pckgs
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- autoconf
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- automake
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- binutils
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- bison
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- cmake
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- erlang
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- gcc
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- go
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- intel
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- openjdk
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- julia
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- libtool
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- lua
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- m4
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- nasm
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- perl
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- nvhpc
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- python
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- py-tensorflow
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- qt
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- r
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- tcl
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- tk
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- System_pckgs: &System_pckgs
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- bash
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- filebench
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- ior
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- mdtest
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- nmap
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- patchelf
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- unison
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- Tools_pckgs: &Tools_pckgs
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- aria2
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- asciidoc
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- coreutils
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- emacs
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- ffmpeg
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- gaussian
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- gettext
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- git
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- global
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- gnupg
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- gnuplot
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- gnutls
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- hdfview
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- krb5
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- kubernetes
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- namd
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- ncview
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- openjpeg
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- openssl
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- orca
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- paraview
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- texlive
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- tmux
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- uncrustify
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- vim
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- visit
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- xmlto
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- xz
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include:
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- sysconfigs/config.yaml
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- sysconfigs/compilers.yaml
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- sysconfigs/packages.yaml
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#>>> modules.yaml
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modules:
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Batchsystem:
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use_view: Batchsystem
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &Batchsystem_module_root /afs/psi.ch/sys/spack-rhel7/Batchsystem
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tcl:
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blacklist_implicits: true
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include: *Batchsystem_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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environment:
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prepend_path:
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# equivalent to module-addgroup Batchsystem
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MODULEPATH: *Batchsystem_module_root
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set:
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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slurm:
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environment:
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prepend_path:
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SLURM_CONF: '/etc/slurm/slurm.conf'
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projections: &unified_modules_projections
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all: modulefiles/{compiler.name}/{compiler.version}/{name}/{version}
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^mpi: 'modulefiles/{compiler.name}/{compiler.version}/{name}/{version}/{^mpi.name}/{^mpi.version}'
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~mpi: 'modulefiles/{compiler.name}/{compiler.version}/{name}_serial/{version}'
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threads=openmp: 'modulefiles/{compiler.name}/{compiler.version}/{name}_OMP/{version}'
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MPI:
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use_view: MPI
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &MPI_module_root /afs/psi.ch/sys/spack-rhel7/MPI
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tcl:
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blacklist_implicits: true
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include: *MPI_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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environment:
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# equivalent to module-addgroup MPI
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prepend_path:
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MODULEPATH: *MPI_module_root
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set:
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_VERSION: '{version}'
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projections: *unified_modules_projections
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Compiler:
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use_view: Compiler
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: /afs/psi.ch/sys/spack-rhel7/Compiler
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tcl:
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blacklist_implicits: true
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include: *Compiler_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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environment:
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set:
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_VERSION: '{version}'
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intel-oneapi-mpi:
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environment:
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prepend_path:
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# equivalent to module-addgroup MPI
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MODULEPATH: *MPI_module_root
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set:
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I_MPI_CXX: 'mpiicpc'
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I_MPI_F77: 'mpiifort'
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I_MPI_F90: 'mpiifort'
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I_MPI_FC: 'mpiifort'
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I_MPI_ICC: 'mpiicc'
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MPIEXEC: 'mpiexec.hydra'
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MPIFC: 'mpiifort'
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MPIFORTRAN: 'mpiifort'
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MPIRUN: 'mpirun'
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mpich:
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environment:
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prepend_path:
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# equivalent to module-addgroup MPI
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MODULEPATH: *MPI_module_root
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set:
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MPIEXEC: ${prefix}/bin/mpiexec
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MPIFC: ${prefix}/bin/mpif90
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MPIFORTRAN: ${prefix}/bin/mpif90
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MPIRUN: ${prefix}/bin/mpirun
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openblas:
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environment:
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set:
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BLASLIB: ${prefix}/libopenblas.a
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openmpi:
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environment:
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prepend_path:
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# equivalent to module-addgroup MPI
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MODULEPATH: *MPI_module_root
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set:
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MPIEXEC: ${prefix}/bin/mpiexec
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MPIFC: ${prefix}/bin/mpif90
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MPIFORTRAN: ${prefix}/bin/mpif90
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MPIRUN: ${prefix}/bin/mpirun
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root:
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environment:
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set:
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ROOTSYS: ${prefix}
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projections: *unified_modules_projections
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Cuda:
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use_view: Cuda
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &Cuda_module_root /afs/psi.ch/sys/spack-rhel7/cuda
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tcl:
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blacklist_implicits: true
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include: *Cuda_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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environment:
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prepend_path:
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# equivalent to module-addgroup cuda
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MODULEPATH: *Cuda_module_root
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prepend_path:
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${PACKAGE}_PATH: '{prefix}'
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LIBRARY_PATH: '{prefix}/lib64/stubs'
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LIBRARY_PATH: '{prefix}/targets/x86_64-linux/lib/stubs'
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set:
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${PACKAGE}_DIR: '{prefix}'
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_PATH: '{prefix}'
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${PACKAGE}_VERSION: '{version}'
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projections: *unified_modules_projections
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EM:
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use_view: EM
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &EM_module_root /afs/psi.ch/sys/spack-rhel7/EM
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tcl:
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blacklist_implicits: true
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include: *EM_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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environment:
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prepend_path:
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# equivalent to module-addgroup EM
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MODULEPATH: *EM_module_root
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set:
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_VERSION: '{version}'
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projections: *unified_modules_projections
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HDF5:
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use_view: HDF5
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &HDF5_module_root /afs/psi.ch/sys/spack-rhel7/HDF5
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tcl:
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blacklist_implicits: true
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include: *HDF5_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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- 'HDF5_serial'
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environment:
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prepend_path:
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# equivalent to module-addgroup HDF5
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MODULEPATH: *HDF5_module_root
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set:
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${PACKAGE}_ROOT: '{prefix}'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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projections: *unified_modules_projections
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HDF5_serial:
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use_view: HDF5_serial
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &HDF5_serial_module_root /afs/psi.ch/sys/spack-rhel7/HDF5_serial
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tcl:
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blacklist_implicits: true
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include: *HDF5_serial_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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- 'HDF5_serial'
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environment:
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prepend_path:
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# equivalent to module-addgroup HDF5_serial
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MODULEPATH: *HDF5_serial_module_root
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set:
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${PACKAGE}_DIR: '{prefix}'
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${PACKAGE}_HOME: '{prefix}'
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib64'
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${PACKAGE}_PREFIX: '{prefix}'
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${PACKAGE}_ROOT: '{prefix}'
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${PACKAGE}_VERSION: '{version}'
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projections: *unified_modules_projections
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Librairies:
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use_view: Librairies
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &Librairies_module_root /afs/psi.ch/sys/spack-rhel7/Librairies
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tcl:
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blacklist_implicits: true
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include: *Librairies_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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environment:
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prepend_path:
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# equivalent to module-addgroup Librairies
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MODULEPATH: *Librairies_module_root
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set:
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_VERSION: '{version}'
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projections: *unified_modules_projections
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MX:
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use_view: MX
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &MX_module_root /afs/psi.ch/sys/spack-rhel7/MX
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tcl:
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blacklist_implicits: true
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include: *MX_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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environment:
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prepend_path:
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# equivalent to module-addgroup MX
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MODULEPATH: *MX_module_root
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set:
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_VERSION: '{version}'
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projections: *unified_modules_projections
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Programming:
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use_view: Programming
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &Programming_module_root /afs/psi.ch/sys/spack-rhel7/Programming
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tcl:
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blacklist_implicits: true
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include: *Programming_pckgs
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exclude: *Compilers
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all:
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autoload: direct
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conflict:
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- '{name}'
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environment:
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prepend_path:
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# equivalent to module-addgroup Programming
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MODULEPATH: *Programming_module_root
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set:
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_VERSION: '{version}'
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nvhpc:
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environment:
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set:
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ARCH_VERSION: $NVARCH/'$env(PGI_VERSION)'
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CPP: '{prefix}/$ARCH_VERSION/compilers/bin/nvprepro'
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F90: '{prefix}/$ARCH_VERSION/compilers/bin/pgf90'
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F95: '{prefix}/$ARCH_VERSION/compilers/bin/pgf95'
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FORTRAN: '{prefix}/$ARCH_VERSION/compilers/bin/pgfortran'
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NVARCH: '{arch}'
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NVCOMPILERS: '{prefix}'
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PGI: '{prefix}'
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projections: *unified_modules_projections
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|
System:
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use_view: System
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arch_folder: false
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enable:
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- tcl
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roots:
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tcl: &System_module_root /afs/psi.ch/sys/spack-rhel7/System
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tcl:
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blacklist_implicits: true
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|
include: *System_pckgs
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|
exclude: *Compilers
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|
all:
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autoload: direct
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conflict:
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- '{name}'
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environment:
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prepend_path:
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# equivalent to module-addgroup System
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MODULEPATH: *System_module_root
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set:
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_VERSION: '{version}'
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|
projections: *unified_modules_projections
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|
Tools:
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use_view: Tools
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|
arch_folder: false
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|
enable:
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- tcl
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|
roots:
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tcl: &Tools_module_root /afs/psi.ch/sys/spack-rhel7/Tools
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|
tcl:
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blacklist_implicits: true
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|
include: *Tools_pckgs
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|
exclude: *Compilers
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|
all:
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autoload: direct
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conflict:
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|
- '{name}'
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|
environment:
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# equivalent to module-addgroup Tools
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|
prepend_path:
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MODULEPATH: *Tools_module_root
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set:
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${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_VERSION: '{version}'
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projections: *unified_modules_projections
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prefix_inspections:
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'':
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- CMAKE_PREFIX_PATH
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bin:
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- PATH
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include:
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- C_INCLUDE_PATH
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- CPLUS_INCLUDE_PATH
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|
lib:
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- LIBRARY_PATH
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- LD_LIBRARY_PATH
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lib/pkgconfig:
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- PKG_CONFIG_PATH
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|
lib64:
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- LIBRARY_PATH
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- LD_LIBRARY_PATH
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lib64/pkgconfig:
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- PKG_CONFIG_PATH
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|
man:
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- MANPATH
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share/aclocal:
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|
- ACLOCAL_PATH
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share/man:
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- MANPATH
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share/pkgconfig:
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- PKG_CONFIG_PATH
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#<<<
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specs:
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|
- matrix:
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|
- [cmake,cuda,fftw,gromacs,kokkos,mpich netmod=ucx,nvhpc+mpi,openblas threads=none,openblas threads=openmp,
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|
python,root~tbb~x,slurm,gsl]
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|
- ['%gcc']
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|
- matrix:
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|
- [boost]
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|
- ['%clang','%gcc','%nvhpc','%oneapi']
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|
- matrix:
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|
- [hdf5~mpi, openmpi]
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|
- ['%gcc','%oneapi']
|
|
- matrix:
|
|
- [hdf5+mpi +fortran +hl +shared, netcdf-fortran, netcdf-c +parallel-netcdf]
|
|
- ['%gcc','%nvhpc','%oneapi']
|
|
- [^openmpi]
|
|
- intel-oneapi-mpi%oneapi
|
|
view:
|
|
Batchsystem:
|
|
link: all
|
|
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}'
|
|
threads=openmp: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
|
root: /afs/psi.ch/sys/spack-rhel7/Batchsystem
|
|
select: *Batchsystem_pckgs
|
|
Compiler:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/Compiler
|
|
select: *Compiler_pckgs
|
|
Cuda:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/cuda
|
|
select: *Cuda_pckgs
|
|
EM:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/EM
|
|
select: *EM_pckgs
|
|
HDF5:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/HDF5
|
|
select: *HDF5_pckgs
|
|
HDF5_serial:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/HDF5_serial
|
|
select: *HDF5_serial_pckgs
|
|
Librairies:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/Librairies
|
|
select: *Librairies_pckgs
|
|
MPI:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/MPI
|
|
select: *MPI_pckgs
|
|
MX:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/MX
|
|
select: *MX_pckgs
|
|
Programming:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/Programming
|
|
select: *Programming_pckgs
|
|
System:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/System
|
|
select: *System_pckgs
|
|
Tools:
|
|
link: all
|
|
link_type: symlink
|
|
projections: *unified_projections
|
|
root: /afs/psi.ch/sys/spack-rhel7/Tools
|
|
select: *Tools_pckgs |