901 lines
26 KiB
YAML
901 lines
26 KiB
YAML
spack:
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concretizer:
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unify: when_possible
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definitions:
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- mpi:
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- ^openmpi@4.1.4%gcc@8.3.0+cuda fabrics=ucx,xpmem,knem,ofi,cma,hcoll schedulers=slurm
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+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
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^pmix@4.1.2
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- python:
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- ^py-numpy@1.19.5%gcc@8.3.0 ^python@3.6.13%gcc@8.3.0
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- blas:
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- ^openblas%gcc@8.3.0
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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: /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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exclude:
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- '%clang@12.0.0'
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- '%dpcpp@2022.1.0'
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- '%gcc@8.3.0'
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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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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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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Batchsystem
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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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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: /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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exclude:
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- '%clang@12.0.0'
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- '%dpcpp@2022.1.0'
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- '%gcc@8.3.0'
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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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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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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
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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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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:
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- atlas
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- clapack
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- boost
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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
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- libxc
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- libxsmm
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- mpich
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- openblas
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- openmpi
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- root
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- superlu
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- vtk
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exclude:
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- '%clang@12.0.0'
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- '%dpcpp@2022.1.0'
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- '%gcc@8.3.0'
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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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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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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
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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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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
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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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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MPI
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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:
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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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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:
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blacklist_implicits: true
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include:
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- cuda
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exclude:
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- '%clang@12.0.0'
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- '%dpcpp@2022.1.0'
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- '%gcc@8.3.0'
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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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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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${PACKAGE}_PATH: '{prefix}'
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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:
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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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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: /afs/psi.ch/sys/spack-rhel7/EM
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tcl:
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blacklist_implicits: true
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include:
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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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exclude:
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- '%clang@12.0.0'
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- '%dpcpp@2022.1.0'
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- '%gcc@8.3.0'
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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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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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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/EM
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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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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: /afs/psi.ch/sys/spack-rhel7/HDF5
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tcl:
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blacklist_implicits: true
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include:
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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
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- trilinos
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exclude:
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- '%clang@12.0.0'
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- '%dpcpp@2022.1.0'
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- '%gcc@8.3.0'
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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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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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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/HDF5
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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:
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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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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: /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:
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- hdf5~mpi
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- h5hut~mpi
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- ncview
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exclude:
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- '%clang@12.0.0'
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- '%dpcpp@2022.1.0'
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- '%gcc@8.3.0'
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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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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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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/HDF5_serial
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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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${PACKAGE}_LIBRARY_DIR: '{prefix}/lib64'
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${PACKAGE}_PREFIX: '{prefix}'
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${PACKAGE}_ROOT: '{prefix}'
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${PACKAGE}_VERSION: '{version}'
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projections:
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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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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: /afs/psi.ch/sys/spack-rhel7/Librairies
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tcl:
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blacklist_implicits: true
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include:
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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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|
exclude:
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|
- '%clang@12.0.0'
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|
- '%dpcpp@2022.1.0'
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|
- '%gcc@8.3.0'
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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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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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MODULEPATH: /afs/psi.ch/sys/spack-rhel7/Librairies
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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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|
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: /afs/psi.ch/sys/spack-rhel7/MX
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|
tcl:
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|
blacklist_implicits: true
|
|
include:
|
|
- cbflib
|
|
- lz4
|
|
- openbabel
|
|
- visit
|
|
exclude:
|
|
- '%clang@12.0.0'
|
|
- '%dpcpp@2022.1.0'
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|
- '%gcc@8.3.0'
|
|
- '%gcc@12.1.0'
|
|
- '%intel@2021.6.0'
|
|
- '%nvhpc@21.5'
|
|
- '%oneapi@2022.1.0'
|
|
all:
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|
autoload: direct
|
|
conflict:
|
|
- '{name}'
|
|
environment:
|
|
prepend_path:
|
|
MODULEPATH: /afs/psi.ch/sys/spack-rhel7/MX
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|
set:
|
|
${PACKAGE}_INCLUDE_DIR: '{prefix}/include'
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|
${PACKAGE}_LIBRARY_DIR: '{prefix}/lib'
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|
${PACKAGE}_VERSION: '{version}'
|
|
projections:
|
|
all: modulefiles/{compiler.name}/{compiler.version}/{name}/{version}
|
|
^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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|
Programming:
|
|
use_view: Programming
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|
arch_folder: false
|
|
enable:
|
|
- tcl
|
|
roots:
|
|
tcl: /afs/psi.ch/sys/spack-rhel7/Programming
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|
tcl:
|
|
blacklist_implicits: true
|
|
include:
|
|
- autoconf
|
|
- automake
|
|
- binutils
|
|
- bison
|
|
- cmake
|
|
- erlang
|
|
- gcc
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|
- go
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|
- intel
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|
- openjdk
|
|
- julia
|
|
- libtool
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|
- lua
|
|
- m4
|
|
- nasm
|
|
- perl
|
|
- nvhpc+mpi
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|
- python
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|
- py-tensorflow
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|
- qt
|
|
- r
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|
- 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'
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|
${PACKAGE}_VERSION: '{version}'
|
|
nvhpc:
|
|
environment:
|
|
set:
|
|
ARCH_VERSION: $NVARCH/'$env(PGI_VERSION)'
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|
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
|