141 lines
5.0 KiB
YAML
141 lines
5.0 KiB
YAML
spack:
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config:
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build_stage:
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- /scratch/spack/spack-stage
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install_missing_compilers: true
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concretizer:
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unify: when_possible
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include:
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- ../sysconfigs/packages.yaml
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- ../sysconfigs/compilers.yaml
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- ../sysconfigs/modules.yaml
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definitions:
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- gcc_mpi:
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- ^openmpi%gcc
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- gcc_6.1.0_pckgs:
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- trilinos +mpi+cuda cuda_arch=60 ~tpetra
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- gcc_12.1.0_pckgs:
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- gromacs +mpi
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- h5hut +mpi
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- lammps
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- quantum-espresso hdf5=parallel
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- trilinos
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- intel_mpi:
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- ^intel-oneapi-mpi@2021.8.0
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- intel_pckgs:
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- gromacs@2022.4
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- nvhpc_mpi:
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- ^openmpi%nvhpc
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- nvhpc_pckgs:
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- quantum-espresso +mpi+cuda hdf5=parallel
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specs:
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- matrix:
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- [$gcc_12.1.0_pckgs]
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- [$gcc_mpi]
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- [^hdf5%gcc@12.1.0]
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- [^openblas]
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- ['%gcc@12.1.0']
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- matrix:
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- [$intel_pckgs]
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- [$intel_mpi]
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- [^intel-oneapi-mkl]
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- ['%oneapi@2022.2.1']
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- matrix:
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- [$nvhpc_pckgs]
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- [$nvhpc_mpi]
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- [^hdf5%nvhpc@23.1]
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- ['%nvhpc@23.1']
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view: false
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compilers:
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- compiler:
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environment: {}
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extra_rpaths: []
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flags: {}
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modules: []
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operating_system: rhel7
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paths:
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cc: /usr/bin/gcc
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cxx: /usr/bin/g++
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f77: /usr/bin/gfortran
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fc: /usr/bin/gfortran
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spec: gcc@4.8.5
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target: x86_64
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- compiler:
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environment: {}
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extra_rpaths: []
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flags: {}
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modules: []
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operating_system: rhel7
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paths:
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cc: /opt/psi/Programming/gcc/6.1.0/bin/gcc
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cxx: /opt/psi/Programming/gcc/6.1.0/bin/g++
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f77: /opt/psi/Programming/gcc/6.1.0/bin/gfortran
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fc: /opt/psi/Programming/gcc/6.1.0/bin/gfortran
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spec: gcc@6.1.0
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target: x86_64
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- compiler:
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environment: {}
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extra_rpaths: []
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flags: {}
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modules: []
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operating_system: rhel7
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paths:
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cc: /opt/psi/Programming/gcc/12.1.0/bin/gcc
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cxx: /opt/psi/Programming/gcc/12.1.0/bin/g++
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f77: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
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fc: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
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spec: gcc@12.1.0
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target: x86_64
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- compiler:
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environment: {}
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extra_rpaths: []
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flags: {}
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modules: []
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operating_system: rhel7
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paths:
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cc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvc
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cxx: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvc++
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f77: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvfortran
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fc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/nvhpc-23.1-6barulbmh2l6pgbzulzcyta4kb57csgu/Linux_x86_64/23.1/compilers/bin/nvfortran
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spec: nvhpc@23.1
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target: x86_64
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- compiler:
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spec: gcc@4.8.5
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paths:
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cc: /usr/bin/gcc
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cxx: /usr/bin/g++
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f77: /usr/bin/gfortran
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fc: /usr/bin/gfortran
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flags: {}
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operating_system: rhel7
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target: x86_64
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modules: []
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environment: {}
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extra_rpaths: []
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- compiler:
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spec: dpcpp@2022.2.1
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paths:
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cc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/icx
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cxx: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/dpcpp
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f77: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/ifx
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fc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/ifx
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flags: {}
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operating_system: rhel7
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target: x86_64
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modules: []
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environment: {}
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extra_rpaths: []
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- compiler:
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spec: oneapi@2022.2.1
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paths:
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cc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/icx
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cxx: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/icpx
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f77: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/ifx
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fc: /afs/psi.ch/sys/spack-rhel7/spack/opt/spack/linux-rhel7-haswell/gcc-12.1.0/intel-oneapi-compilers-2022.2.1-33g2lmhbfkd2kx2bhwbetcnf2zk625t7/compiler/2022.2.1/linux/bin/ifx
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flags: {}
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operating_system: rhel7
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target: x86_64
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modules: []
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environment: {}
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extra_rpaths: []
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