80 lines
2.4 KiB
YAML
80 lines
2.4 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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include:
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- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.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: cray_shasta
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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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specs:
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- arpack-ng@3.9.1/aapiazg
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- boost@1.82.0/cawp3cu
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- castep@25.12/chorual
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- cp2k@2024.1/2jesise #~cuda
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- cp2k@2024.1/zqm5fme #+cuda
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- cp2k@2025.2/yb6gcql #~cuda
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- cp2k@2025.2/hkub3ev #+cuda +sirius A100
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- dmtcp@3.0.0/e76t6c5
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- fastqc@0.12.1/eyuqqvf
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- ffbidx@main/lfacuhw
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- fpart@1.6.0/di4akxx
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- gams@49.1/vztjqs4
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- geant4@11.2.1/nkib2pg
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- geant4@11.3.2/aumxzp6
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- ghostscript@10.04.0/27dgytn
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- ghostscript@10.04.0/sqkkzjs
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- gromacs@2024.1/3n7qspb #+cuda
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- gromacs@2025.2/vbj4i76
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- gromacs@2025.2/whcqszb
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- gromacs@2025.3/6ken64l
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- gromacs@2025.3/ohljtmq #+cuda
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- hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3
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- hdf5@1.14.3/yrxkczx
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- intel-oneapi-compilers-classic@2021.6.0 # for rizzi_n, don't remove
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- libgd@2.3.3/jdywifq
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- lammps@20250722/37gso73 #~cuda
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- lammps@20250722/xcaf2uy #+cuda
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- nvhpc@25.3/wcwfa56
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- opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
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- opal-x@master/cbgsfxb #+cuda cuda_arch=80
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- opal@2024.1.0/mhg3mdx
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- osu-micro-benchmarks@7.5/exsxjam
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- osu-micro-benchmarks@7.5/miy6mrp
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- osu-micro-benchmarks@7.5/tlphstf
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- py-alphafold@2.3.2/xkw7tfm #+cuda
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- py-pymol@3.1.0/5qcfphh
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- q-e-sirius@1.0.1/dtn4jr4 #~cuda
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- q-e-sirius@1.0.1/7snvzfr #+cuda
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- quantum-espresso@7.3.1/n6mulig #~cuda
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- quantum-espresso@7.4.0/m7bevi7
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- quantum-espresso@7.4.1/nxswsd7 #+cuda +mpi +mpigpu
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- quantum-espresso@7.4.1/qasxcxt
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- relion@4.0.1/ve5sish
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- root@6.34.06/2wo4ykf
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- scorep@9.3/me7y4yx #+cuda +openmp +shmem +papi
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- sratoolkit@3.1.1/7oqp6a3
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- star@2.7.11a/gdgr2ea
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- sundials@7.0.0/xxysszi #+cuda+mpi+openmp cuda_arch=80
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- valgrind@3.24.0/eicvdsq
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- valgrind@3.24.0/eicvdsq
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- visit@3.4.1/h3a6tat
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view: false
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