106 lines
3.0 KiB
YAML
106 lines
3.0 KiB
YAML
spack:
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concretizer:
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unify: false
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config:
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install_tree:
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root: $spack/opt/spack/unstable
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definitions:
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- compilers:
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- gcc@7.5.0
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- gcc@9.5.0/ow3yhui
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- gcc@=12.3
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- intel-oneapi-compilers@=2024.1.0
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- intel-oneapi-compilers@=2022.1.0
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- gcc@=13.2.0 arch=linux-sles15-x86_64
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- nvhpc@23.9
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- cce@17.0.0
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- gcc_7.5.0:
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- fpart@1.6.0/di4akxx
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- visit@3.3.3/fo37wwb
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- gcc_12.3:
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- fastqc@0.12.1/eyuqqvf
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- ffbidx@main/lfacuhw
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- star@2.7.11a/gdgr2ea
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- sratoolkit@3.1.1/7oqp6a3
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- gcc_13.2:
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- dmtcp@3.0.0/e76t6c5
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- gams@49.1/vztjqs4
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- gcc_13.2_openmpi:
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- opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
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- gcc_12.3_mpich:
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- cp2k@2024.1/2jesise #~cuda
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- cp2k@2024.1/zqm5fme #+cuda
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- relion@4.0.1/ve5sish
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- quantum-espresso@7.3.1/n6mulig #~cuda
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- opal@2024.1.0/mhg3mdx
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- py-alphafold@2.3.2/xkw7tfm #+cuda
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- sundials@7.0.0/xxysszi #sundials@7.0.0+ARKODE+CVODE+CVODES+IDA+IDAS+KINSOL+cuda+examples+examples-install~f2003~fcmix~ginkgo~hypre~int64~ipo~klu~kokkos~kokkos-kernels~lapack~magma~monitoring+mpi+openmp~petsc~profiling~pthread~raja~rocm+shared+static~superlu-dist~superlu-mt~sycl~trilinos build_system=cmake build_type=Release cstd=99 cuda_arch=80 cxxstd=14 generator=make logging-level=2 precision=double
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- gcc_9.5.0_openmpi:
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- q-e-sirius@develop-ristretto/bb4v7wz
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- gcc_12.3_openmpi:
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- gromacs@2024.1/3n7qspb #+cuda
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- hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3
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- intel_2021.6.0:
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- hdf5@1.14.3/yrxkczx
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- nvhpc_23.9_openmpi:
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- quantum-espresso@7.3.1/le35al7 #+cuda
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include:
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- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
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- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
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include_concrete:
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- /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/unstable
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mirrors:
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local_psi: file:///afs/psi.ch/software/spack/testing
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modules:
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default:
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roots:
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lmod: $spack/opt/spack/unstable/modulefiles
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lmod:
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cray-mpich:
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environment:
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set:
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SLURM_MPI_TYPE: 'pmix'
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LD_LIBRARY_PATH: /opt/cray/libfabric/1.22.0/lib64
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openmpi:
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environment:
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set:
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SLURM_MPI_TYPE: 'pmix'
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OMPI_MCA_mtl_ofi_disable_hmem: 'true'
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specs:
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- matrix:
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- [$compilers]
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- ['%gcc@7.5.0']
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- matrix:
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- [$gcc_7.5.0]
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- ['%gcc@7.5.0']
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- matrix:
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- [$gcc_12.3]
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- ['%gcc@12.3']
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- matrix:
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- [$gcc_13.2]
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- ['%gcc@13.2']
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- matrix:
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- [$gcc_13.2_openmpi]
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- ['%gcc@13.2']
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- [^openmpi]
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- matrix:
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- [$gcc_12.3_mpich]
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- ['%gcc@12.3']
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- [^cray-mpich]
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- matrix:
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- [$gcc_9.5.0_openmpi]
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- ['%gcc@9.5.0']
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- [^openmpi]
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- matrix:
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- [$gcc_12.3_openmpi]
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- ['%gcc@12.3']
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- [^openmpi]
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- matrix:
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- [$intel_2021.6.0]
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- ['%intel@2021.6.0']
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- matrix:
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- [$nvhpc_23.9_openmpi]
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- ['%nvhpc@23.9']
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- [^openmpi]
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view: false
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