FIX: OpenBLAS_OMP bug
This commit is contained in:
629
env/merlin/spack.yaml
vendored
629
env/merlin/spack.yaml
vendored
@ -2,9 +2,9 @@ spack:
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concretizer:
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unify: false
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definitions:
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- Batchsystem_pckgs:
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- Batchsystem_pckgs: &Batchsystem_pckgs
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- slurm
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- Compiler_pckgs:
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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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@ -25,15 +25,15 @@ spack:
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- root
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- superlu
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- vtk
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- Cuda_pckgs:
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- Cuda_pckgs: &Cuda_pckgs
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- cuda
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- EM_pckgs:
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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:
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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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@ -51,12 +51,12 @@ spack:
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- wxwidgets
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- x264
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- zlib
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- MX_pckgs:
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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:
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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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@ -66,11 +66,11 @@ spack:
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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:
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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:
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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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@ -81,7 +81,7 @@ spack:
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- gromacs
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- lammps
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- astra
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- Programming_pckgs:
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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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@ -105,7 +105,7 @@ spack:
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- r
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- tcl
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- tk
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- System_pckgs:
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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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@ -113,7 +113,7 @@ spack:
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- nmap
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- patchelf
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- unison
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- Tools_pckgs:
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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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@ -154,66 +154,52 @@ spack:
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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/Batchsystem
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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:
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- slurm
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include: *Batchsystem_pckgs
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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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append_path:
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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Batchsystem
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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:
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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: '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: /afs/psi.ch/sys/spack-rhel7/MPI
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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:
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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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include: *MPI_pckgs
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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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append_path:
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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
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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:
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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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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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@ -223,27 +209,7 @@ spack:
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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:
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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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- gsl
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- googletest
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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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include: *Compiler_pckgs
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all:
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autoload: direct
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conflict:
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@ -256,21 +222,23 @@ spack:
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intel-oneapi-mpi:
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environment:
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append_path:
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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
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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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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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append_path:
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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
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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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@ -283,7 +251,8 @@ spack:
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openmpi:
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environment:
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append_path:
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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
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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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@ -293,31 +262,28 @@ spack:
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environment:
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set:
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ROOTSYS: ${prefix}
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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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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: /afs/psi.ch/sys/spack-rhel7/cuda
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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:
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- cuda
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include: *Cuda_pckgs
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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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append_path:
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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/cuda
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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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${PACKAGE}_DIR: '{prefix}'
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@ -325,225 +291,143 @@ spack:
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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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${PACKAGE}_PATH: '{prefix}'
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${PACKAGE}_VERSION: '{version}'
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projections:
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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}
|
||||
~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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||||
projections: *unified_modules_projections
|
||||
EM:
|
||||
use_view: EM
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||||
arch_folder: false
|
||||
enable:
|
||||
- tcl
|
||||
roots:
|
||||
tcl: /afs/psi.ch/sys/spack-rhel7/EM
|
||||
tcl: &EM_module_root /afs/psi.ch/sys/spack-rhel7/EM
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||||
tcl:
|
||||
blacklist_implicits: true
|
||||
include:
|
||||
- cistem
|
||||
- ctffind
|
||||
- motioncor2
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||||
- relion
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||||
- unblur
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||||
include: *EM_pckgs
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
append_path:
|
||||
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/EM
|
||||
MODULEPATH: *EM_module_root
|
||||
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}
|
||||
projections: *unified_modules_projections
|
||||
HDF5:
|
||||
use_view: HDF5
|
||||
arch_folder: false
|
||||
enable:
|
||||
- tcl
|
||||
roots:
|
||||
tcl: /afs/psi.ch/sys/spack-rhel7/HDF5
|
||||
tcl: &HDF5_module_root /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
|
||||
include: *HDF5_pckgs
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
- HDF5_serial
|
||||
- 'HDF5_serial'
|
||||
environment:
|
||||
append_path:
|
||||
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/HDF5
|
||||
# equivalent to module-addgroup HDF5
|
||||
MODULEPATH: *HDF5_module_root
|
||||
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}
|
||||
projections: *unified_modules_projections
|
||||
HDF5_serial:
|
||||
use_view: HDF5_serial
|
||||
arch_folder: false
|
||||
enable:
|
||||
- tcl
|
||||
roots:
|
||||
tcl: /afs/psi.ch/sys/spack-rhel7/HDF5_serial
|
||||
tcl: &HDF5_serial_module_root /afs/psi.ch/sys/spack-rhel7/HDF5_serial
|
||||
tcl:
|
||||
blacklist_implicits: true
|
||||
include:
|
||||
- hdf5~mpi
|
||||
- h5hut~mpi
|
||||
- ncview
|
||||
include: *HDF5_serial_pckgs
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
- HDF5_serial
|
||||
- 'HDF5_serial'
|
||||
environment:
|
||||
append_path:
|
||||
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/HDF5_serial
|
||||
# equivalent to module-addgroup HDF5_serial
|
||||
MODULEPATH: *HDF5_serial_module_root
|
||||
set:
|
||||
${PACKAGE}_DIR: '{prefix}'
|
||||
${PACKAGE}_HOME: '{prefix}'
|
||||
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
||||
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
||||
${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}
|
||||
projections: *unified_modules_projections
|
||||
Librairies:
|
||||
use_view: Librairies
|
||||
arch_folder: false
|
||||
enable:
|
||||
- tcl
|
||||
roots:
|
||||
tcl: /afs/psi.ch/sys/spack-rhel7/Librairies
|
||||
tcl: &Librairies_module_root /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
|
||||
include: *Librairies_pckgs
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
append_path:
|
||||
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Librairies
|
||||
MODULEPATH: *Librairies_module_root
|
||||
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}
|
||||
projections: *unified_modules_projections
|
||||
MX:
|
||||
use_view: MX
|
||||
arch_folder: false
|
||||
enable:
|
||||
- tcl
|
||||
roots:
|
||||
tcl: /afs/psi.ch/sys/spack-rhel7/MX
|
||||
tcl: &MX_module_root /afs/psi.ch/sys/spack-rhel7/MX
|
||||
tcl:
|
||||
blacklist_implicits: true
|
||||
include:
|
||||
- cbflib
|
||||
- lz4
|
||||
- openbabel
|
||||
- visit
|
||||
include: *MX_pckgs
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
append_path:
|
||||
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MX
|
||||
MODULEPATH: *MX_module_root
|
||||
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}
|
||||
projections: *unified_modules_projections
|
||||
Programming:
|
||||
use_view: Programming
|
||||
arch_folder: false
|
||||
enable:
|
||||
- tcl
|
||||
roots:
|
||||
tcl: /afs/psi.ch/sys/spack-rhel7/Programming
|
||||
tcl: &Programming_module_root /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
|
||||
include: *Programming_pckgs
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
append_path:
|
||||
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Programming
|
||||
MODULEPATH: *Programming_module_root
|
||||
set:
|
||||
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
|
||||
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
|
||||
@ -559,101 +443,54 @@ spack:
|
||||
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}
|
||||
projections: *unified_modules_projections
|
||||
System:
|
||||
use_view: System
|
||||
arch_folder: false
|
||||
enable:
|
||||
- tcl
|
||||
roots:
|
||||
tcl: /afs/psi.ch/sys/spack-rhel7/System
|
||||
tcl: &System_module_root /afs/psi.ch/sys/spack-rhel7/System
|
||||
tcl:
|
||||
blacklist_implicits: true
|
||||
include:
|
||||
- bash
|
||||
- filebench
|
||||
- ior
|
||||
- mdtest
|
||||
- nmap
|
||||
- patchelf
|
||||
- unison
|
||||
include: *System_pckgs
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
append_path:
|
||||
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/System
|
||||
MODULEPATH: *System_module_root
|
||||
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}
|
||||
projections: *unified_modules_projections
|
||||
Tools:
|
||||
use_view: Tools
|
||||
arch_folder: false
|
||||
enable:
|
||||
- tcl
|
||||
roots:
|
||||
tcl: /afs/psi.ch/sys/spack-rhel7/Tools
|
||||
tcl: &Tools_module_root /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
|
||||
include: *Tools_pckgs
|
||||
all:
|
||||
autoload: direct
|
||||
conflict:
|
||||
- '{name}'
|
||||
environment:
|
||||
append_path:
|
||||
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Tools
|
||||
MODULEPATH: *Tools_module_root
|
||||
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}
|
||||
projections: *unified_modules_projections
|
||||
prefix_inspections:
|
||||
? ''
|
||||
: - CMAKE_PREFIX_PATH
|
||||
'':
|
||||
- CMAKE_PREFIX_PATH
|
||||
bin:
|
||||
- PATH
|
||||
include:
|
||||
@ -680,262 +517,94 @@ spack:
|
||||
#<<<
|
||||
specs:
|
||||
- matrix:
|
||||
- [cmake, cuda, fftw, gromacs, kokkos, mpich, nvhpc, openblas threads=none, openblas
|
||||
threads=openmp, python, root, slurm, gsl]
|
||||
- [cmake,cuda,fftw,gromacs,kokkos,mpich,nvhpc,openblas threads=none,openblas threads=openmp,
|
||||
python,root,slurm,gsl]
|
||||
- ['%gcc']
|
||||
- matrix:
|
||||
- [boost]
|
||||
- ['%clang', '%gcc', '%nvhpc', '%oneapi']
|
||||
- [boost, hdf5~mpi, openmpi]
|
||||
- ['%clang','%gcc','%nvhpc','%oneapi']
|
||||
exclude:
|
||||
- hdf5~mpi%clang
|
||||
- openmpi%clang
|
||||
- matrix:
|
||||
- [hdf5+mpi, hdf5~mpi, netcdf-c, netcdf-fortran, netcdf-c +parallel-netcdf, openmpi]
|
||||
- ['%gcc', '%nvhpc', '%oneapi']
|
||||
- [hdf5+mpi +fortran +hl +shared, netcdf-fortran, netcdf-c +parallel-netcdf]
|
||||
- ['%gcc','%nvhpc','%oneapi']
|
||||
- [^openmpi]
|
||||
- intel-oneapi-mpi%oneapi
|
||||
view:
|
||||
Batchsystem:
|
||||
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}'
|
||||
threads=openmp: '{name}_OMP/{version}/{compiler.name}/{compiler.version}'
|
||||
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
|
||||
select: *Batchsystem_pckgs
|
||||
Compiler:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *Compiler_pckgs
|
||||
Cuda:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *Cuda_pckgs
|
||||
EM:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *EM_pckgs
|
||||
HDF5:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *HDF5_pckgs
|
||||
HDF5_serial:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *HDF5_serial_pckgs
|
||||
Librairies:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *Librairies_pckgs
|
||||
MPI:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *MPI_pckgs
|
||||
MX:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *MX_pckgs
|
||||
Programming:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *Programming_pckgs
|
||||
System:
|
||||
link: roots
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
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
|
||||
select: *System_pckgs
|
||||
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
|
||||
link_type: symlink
|
||||
projections: *unified_projections
|
||||
root: /afs/psi.ch/sys/spack-rhel7/Tools
|
||||
select: *Tools_pckgs
|
Reference in New Issue
Block a user