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27 changes: 27 additions & 0 deletions
27
_stacks/LLNL/benchpark/configs/TAMU-Grace-Dell-cascadelake-Infiniband/spack.yaml
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| # Copyright 2023 Lawrence Livermore National Security, LLC and other | ||
| # Benchpark Project Developers. See the top-level COPYRIGHT file for details. | ||
| # | ||
| # SPDX-License-Identifier: Apache-2.0 | ||
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| spack: | ||
| packages: | ||
| default-compiler: | ||
| #spack_spec: intel@2020b | ||
| spack_spec: gcc | ||
| compiler-gcc: | ||
| #spack_spec: gcc@12.2.0 | ||
| spack_spec: gcc | ||
| compiler-intel: | ||
| #spack_spec: intel@2020b | ||
| spack_spec: intel | ||
| default-mpi: | ||
| #spack_spec: intel@2020b | ||
| spack_spec: openmpi@4.1.4 | ||
| mpi-gcc: | ||
| spack_spec: openmpi@4.1.4 | ||
| blas: | ||
| #spack_spec: openblas@0.3.5 | ||
| spack_spec: blas | ||
| lapack: | ||
| #spack_spec: scalapack@2.0.2-openblas | ||
| spack_spec: lapack |
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97 changes: 97 additions & 0 deletions
97
_stacks/PawseySC/pawsey-spack-config/systems/setonix/environments/cray_num_libs/spack.yaml
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| spack: | ||
| # They are currently buildable, | ||
| # because cray-libsci and cray-fftw are not in use (see packages.yaml) | ||
| packages: | ||
| 'fftw-api:': | ||
| buildable: true | ||
| definitions: | ||
| - parallel: | ||
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| # boost: might need several boosts with different stadards | ||
| # spack/0.19.0 offers only up to boost@1.80.0 | ||
| - boost@1.83.0 +mpi +numpy +python cxxstd=14 | ||
| - boost@1.83.0 +mpi +numpy +python cxxstd=98 | ||
| - hpx@1.9.1 +async_mpi malloc=jemalloc max_cpu_count=128 networking=mpi | ||
| build_type=Release ^boost ^netlib-lapack@3.11.0 | ||
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| # rather silly kokkos has std=98,11, etc setting cxxstd. BUT all other packages | ||
| # use the flag cxxstd ... Update in recipes might fix this but for the moment, we fix | ||
| # this in our repo | ||
| # cxxstd=14 is not a variant in kokkos@3.7.02 | ||
| - kokkos@4.1.00 +hwloc +memkind +numactl +openmp +tuning build_type=Release | ||
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| # - kokkos@3.4.01 +hwloc +memkind +numactl +openmp +rocm +tuning cxxstd=14 build_type=Release | ||
| # for hpx must explicitly set openmp off | ||
| - kokkos@4.1.00 +hwloc +memkind +numactl +hpx +hpx_async_dispatch +tuning ~openmp | ||
| build_type=Release ^hpx@1.9.1 +async_mpi max_cpu_count=128 networking=mpi build_type=Release | ||
| # because of odd concretization of packages with python dependences defaulting to 3.9.9 and not the | ||
| # version specified in the packages.yaml, separate packages between those with python dep and those without | ||
| - numerical-with-python: | ||
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| #- plasma@22.9.29 build_type=Release ^openblas #plasma conflicts with cce compiler | ||
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| - slate@2023.11.05 +rocm amdgpu_target=gfx90a build_type=Release | ||
| - plumed@2.9.0 | ||
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| # some heavier numerical library builds | ||
| - opencv@4.8.0 build_type=Release | ||
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| # - opencv@3.4.18 build_type=Release | ||
| - trilinos@15.0.0 +adios2 +openmp +python ~cuda ^adios2@2.9.2 build_type=Release | ||
| ^hdf5@1.14.3 build_type=Release | ||
| - petsc-set: | ||
| - petsc@3.20.1 | ||
| - numerical: | ||
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| - netlib-lapack@3.11.0 build_type=Release | ||
| - netlib-scalapack@2.2.0 | ||
| - blaspp@2023.08.25 ~cuda build_type=Release #^openblas # openblas fails with cce compiler | ||
| - eigen@3.4.0 build_type=Release # charris: build ok on Joey 2021-12-16 | ||
| - fftw@2.1.5 +openmp precision=float,double # fftw 2 does not support long doubles | ||
| - fftw@3.3.10 +openmp precision=float,double,long_double | ||
| - gsl@2.7.1 | ||
| - amd-with-python: | ||
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| # AMD AOCL | ||
| - amdblis@3.0 threads=openmp | ||
| - amdblis@3.0 | ||
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| # variant below useful for at least one PaCER | ||
| - amdlibflame@3.0 | ||
| - amdscalapack@3.0 build_type=Release | ||
| - aocl-sparse@3.0 build_type=Release | ||
| - amd: | ||
| - amdfftw@3.0 precision=float,double,long_double | ||
| specs: | ||
| - matrix: | ||
| - [$parallel] | ||
| - ['%cce@16.0.1'] | ||
| - [^python@3.11.6] | ||
| - [target=zen3] | ||
| - matrix: | ||
| - [$petsc-set] | ||
| - ['%cce@16.0.1'] | ||
| - [^python@3.11.6 ^fftw@3.3.10 ^netlib-lapack@3.11.0] | ||
| - [~complex] #+complex is throwing this error: unknown type name '__complex128' | ||
| - [+fftw ~trilinos +hwloc +openmp ~cuda] | ||
| - [target=zen3] | ||
| - matrix: | ||
| - [$numerical] | ||
| - ['%cce@16.0.1'] | ||
| - [target=zen3] | ||
| - matrix: | ||
| - [$numerical-with-python] | ||
| - ['%cce@16.0.1'] | ||
| - [^python@3.11.6 +optimizations+zlib] | ||
| - [target=zen3] | ||
| # for now don't build amd math libraries | ||
| #- matrix: | ||
| # - [$amd] | ||
| # - ['%gcc@12.2.0', '%cce@16.0.1', '%aocc@3.2.0'] | ||
| # - [target=zen3] | ||
| #- matrix: | ||
| # - [$amd-with-python] | ||
| # - ['%gcc@12.2.0', '%cce@16.0.1', '%aocc@3.2.0'] | ||
| # - [^python@3.11.6] | ||
| # - [target=zen3] | ||
| view: false |
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_stacks/PawseySC/pawsey-spack-config/systems/setonix/environments/cray_python/spack.yaml
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| spack: | ||
| # fixing some versions to have only one version per package in this environment | ||
| # note: these preferred versions are now set in packages.yaml | ||
| definitions: | ||
| - packages: | ||
| - py-cython@3.0.4 | ||
| - py-dask@2023.4.1 ^netlib-lapack@3.11.0 | ||
| - py-h5netcdf@0.10.0 ^netlib-lapack@3.11.0 | ||
| - py-h5py@3.8.0 ^netlib-lapack@3.11.0 | ||
| - py-ipython@8.14.0 | ||
| - py-matplotlib@3.8.1 +movies ^netlib-lapack@3.11.0 | ||
| - py-mpi4py@3.1.5 | ||
| # - py-netcdf4@1.5.8 ^netlib-lapack@3.11.0 #does not build due to error: incompatible pointer to integer conversion returning 'void *' from a function with result type 'int' [-Wint-conversion] | ||
| # - py-numba@0.57.0 ^netlib-lapack@3.11.0 #produces typedef redefinition with different types ('FILE' (aka 'struct _IO_FILE') vs 'struct __dirstream') | ||
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| # py-numpy: using spack's recipe | ||
| - py-numpy@1.26.1 ^openblas threads=openmp build_system=cmake #^netlib-lapack@3.11.0 | ||
| # - py-pandas@2.1.2 ^netlib-lapack@3.11.0 #fails to compile llvm/14.0.6, so py-llvmlite fails. py-numba is also a dependency | ||
| - py-plotly@5.14.1 | ||
| # - py-scikit-learn@1.1.3 ^netlib-lapack@3.11.0 #does not build due to py-scipy@1.8.1 failure | ||
| # - py-scipy@1.8.1 ^netlib-lapack@3.11.0 #does not build due to error: assigning to '__m512' (vector of 16 'float' values) from incompatible type 'int' | ||
| # need these here, too, for the python collection | ||
| - utilities: | ||
| - py-pip@23.1.2 | ||
| - py-setuptools@68.0.0 | ||
| specs: | ||
| - matrix: | ||
| - [python@3.11.6 +optimizations+zlib] | ||
| - ['%cce@16.0.1'] | ||
| - [target=zen3] | ||
| - matrix: | ||
| - [$packages, $utilities] | ||
| - [^python@3.11.6 +optimizations+zlib] | ||
| - ['%cce@16.0.1'] | ||
| - [target=zen3] | ||
| view: false |
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35 changes: 35 additions & 0 deletions
35
_stacks/PawseySC/pawsey-spack-config/systems/setonix/environments/langs/spack.yaml
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| spack: | ||
| definitions: | ||
| - packages: | ||
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| # aocc, rocm, gcc, llvm: provided by system installations | ||
| - perl@5.38.0 | ||
| # this is a proposed change to eliminate openss and older go | ||
| #- openssl@3.0.7 ^perl@5.36.0 | ||
| # do we really need openssl 3.0.7? | ||
| #- go@1.17.2 ^openssl@3.0.7 | ||
| - go@1.21.3 | ||
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| # NotReadyYet: | ||
| # - julia@1.6.1 #Default recipe is very weak. Faulty. Lots of needed dependencies are missing. | ||
| - openjdk@17.0.8.1_1 | ||
| - r@4.3.0 | ||
| - ruby@3.1.0 | ||
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| # latest version of rust available may have issues but spack listed latest release is fine. | ||
| # CRISTIAN: commenting it out because the installation causes issues https://github.com/spack/spack/issues/44201 | ||
| # - rust@1.70.0 ^python@3.11.6 +optimizations+zlib | ||
| - py-utilities: | ||
| - py-pip@23.1.2 | ||
| - py-setuptools@68.0.0 | ||
| specs: | ||
| - matrix: | ||
| - [$py-utilities] | ||
| - [^python@3.11.6 +optimizations+zlib] | ||
| - ['%gcc@12.2.0'] | ||
| - [target=zen3] | ||
| - matrix: | ||
| - [$packages] | ||
| - ['%gcc@12.2.0'] | ||
| - [target=zen3] | ||
| view: false |
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