FIX: add matrix to specs
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59
env/merlin/spack.yaml
vendored
59
env/merlin/spack.yaml
vendored
@ -13,29 +13,25 @@ spack:
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- slurm
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- slurm
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- Compiler_pckgs: &Compiler_pckgs
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- Compiler_pckgs: &Compiler_pckgs
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# E.G: removing atlas from testing, since it taking way too much time. Installation working though.
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# E.G: removing atlas from testing, since it taking way too much time. Installation working though.
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# - atlas%gcc
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# - atlas
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# - clapack%gcc
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# - clapack
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- boost%clang
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- boost
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- boost%gcc
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- clhep
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- boost%nvhpc
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- eigen
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- boost%oneapi
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- geant4
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- clhep%gcc
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- googletest
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- eigen%gcc
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- gsl
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- geant4%gcc
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- intel-oneapi-mpi
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- googletest%gcc
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- kokkos
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- gsl%gcc
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- libint
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- intel-oneapi-mpi%oneapi
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- libxc
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- kokkos%gcc
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- libxsmm
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- libint%oneapi tune=cp2k-lmax-6 ^gmp%oneapi
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- mpich
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- libxc%oneapi
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- openblas
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- libxsmm%oneapi
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- openmpi
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- mpich%gcc netmod=ucx
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- root
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- openblas%gcc threads=none
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- superlu
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- openblas%gcc threads=openmp
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- vtk
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- openmpi%gcc
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- root%gcc ~tbb~x
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- superlu%gcc
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- vtk%gcc
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- Cuda_pckgs: &Cuda_pckgs
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- Cuda_pckgs: &Cuda_pckgs
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- cuda
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- cuda
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- EM_pckgs: &EM_pckgs
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- EM_pckgs: &EM_pckgs
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@ -546,7 +542,22 @@ spack:
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- PKG_CONFIG_PATH
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- PKG_CONFIG_PATH
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#<<<
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#<<<
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specs:
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specs:
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- $Compiler_pckgs
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- matrix:
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- [alps, geant4, gromacs, h5hut+mpi, lammps, r, superlu, visit, vtk, root ~tbb
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~x]
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- ['%gcc']
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- [^openmpi]
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- [^openblas]
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- matrix:
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- [cp2k]
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- ['%oneapi']
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- [^intel-oneapi-mpi]
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- [^intel-oneapi-mkl]
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- matrix:
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- [relion +cuda]
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- ['%nvhpc']
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- [^openmpi]
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- [^openblas]
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view:
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view:
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Batchsystem:
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Batchsystem:
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link: all
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link: all
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