From fcf27efafcf83faf80c0c1cdd6916a2d353bd594 Mon Sep 17 00:00:00 2001 From: germann_e Date: Tue, 19 Aug 2025 14:55:31 +0200 Subject: [PATCH] FIX: clean-up aarch64 env and sort envs --- env/sles15/aarch64/admin/stable/spack.yaml | 2 +- env/sles15/aarch64/admin/unstable/spack.yaml | 75 ++++++-------------- env/sles15/x86_64/admin/unstable/spack.yaml | 64 ++++++++--------- 3 files changed, 55 insertions(+), 86 deletions(-) diff --git a/env/sles15/aarch64/admin/stable/spack.yaml b/env/sles15/aarch64/admin/stable/spack.yaml index bc82c90..ac32071 100644 --- a/env/sles15/aarch64/admin/stable/spack.yaml +++ b/env/sles15/aarch64/admin/stable/spack.yaml @@ -24,7 +24,7 @@ spack: cray-mpich: environment: set: - SLURM_MPI_TYPE: pmix + SLURM_MPI_TYPE: cray_shasta openmpi: environment: set: diff --git a/env/sles15/aarch64/admin/unstable/spack.yaml b/env/sles15/aarch64/admin/unstable/spack.yaml index cff7e94..1cf4f3c 100644 --- a/env/sles15/aarch64/admin/unstable/spack.yaml +++ b/env/sles15/aarch64/admin/unstable/spack.yaml @@ -11,36 +11,6 @@ spack: config: install_tree: root: $spack/opt/spack/unstable - definitions: - - gcc_7.5.0: - - ffbidx@main/3xig2i - - gcc_13.2.0: - - dssp@2.3.0/xfc2pth - - gcc_14.2.0: - - osu-micro-benchmarks@7.5/mit3iil - - osu-micro-benchmarks@7.5/6ycu464 - - osu-micro-benchmarks@7.5/a2kzi4a # OSS libfabric@1.22.0 - - osu-micro-benchmarks@7.5/c25hiuy # System libfabric@1.22.0 - - osu-micro-benchmarks@7.5/bfdstf3 # OSS libfabric@main openmpi@5.0.7 - - aws-ofi-nccl@1.13.0/nz3b3yk - - gcc_12.3_openmpi: - - gromacs@2024.1/x33hfjx - - cp2k@2024.3/m3eow6e #+cuda - - relion@4.0.1/rudfcxt - - relion@5.0.0/oyf4n7i - - gromacs@2025.2/cjnqxp7 - - gcc_12.3_cray_mpich: - - relion@5.0.0/wk4d62r - - gcc_13.2_openmpi: - - opal-x@fixSolverUnits/ttg7vdz - - opal-x@master/v6v2ehx - - gcc_14.2_openmpi: - - py-torchvision@0.20.1/ysfcgu5 - - py-torchaudio@2.5.1/trrglyu - - nvhpc_24.11_openmpi: - - quantum-espresso@7.4/oed4w6w #+cuda +mpigpu hdf5=parallel - - quantum-espresso@7.3.1/d5wpqzw - - quantum-espresso@7.4.1/gxvju5o include: - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml mirrors: @@ -53,8 +23,7 @@ spack: cray-mpich: environment: set: - SLURM_MPI_TYPE: pmix - openmpi: + SLURM_MPI_TYPE: cray_shasta environment: set: SLURM_MPI_TYPE: pmix @@ -66,25 +35,25 @@ spack: core_compilers: - gcc@=7.5.0 specs: - - matrix: - - [$gcc_7.5.0] - - matrix: - - [$gcc_13.2.0] - - matrix: - - [$gcc_14.2.0] - - matrix: - - [$gcc_12.3_cray_mpich] - - [^cray-mpich] - - matrix: - - [$gcc_12.3_openmpi] - - [^openmpi] - - matrix: - - [$gcc_13.2_openmpi] - - [^openmpi] - - matrix: - - [$gcc_14.2_openmpi] - - [^openmpi] - - matrix: - - [$nvhpc_24.11_openmpi] - - [^openmpi] + - aws-ofi-nccl@1.13.0/nz3b3yk + - cp2k@2024.3/m3eow6e #+cuda + - dssp@2.3.0/xfc2pth + - ffbidx@main/3xig2i + - gromacs@2024.1/x33hfjx + - gromacs@2025.2/cjnqxp7 + - opal-x@fixSolverUnits/ttg7vdz + - opal-x@master/v6v2ehx + - osu-micro-benchmarks@7.5/6ycu464 + - osu-micro-benchmarks@7.5/a2kzi4a # OSS libfabric@1.22.0 + - osu-micro-benchmarks@7.5/bfdstf3 # OSS libfabric@main openmpi@5.0.7 + - osu-micro-benchmarks@7.5/c25hiuy # System libfabric@1.22.0 + - osu-micro-benchmarks@7.5/mit3iil + - py-torchaudio@2.5.1/trrglyu + - py-torchvision@0.20.1/ysfcgu5 + - quantum-espresso@7.3.1/d5wpqzw + - quantum-espresso@7.4.1/gxvju5o + - quantum-espresso@7.4/oed4w6w #+cuda +mpigpu hdf5=parallel + - relion@4.0.1/rudfcxt + - relion@5.0.0/oyf4n7i + - relion@5.0.0/wk4d62r view: false diff --git a/env/sles15/x86_64/admin/unstable/spack.yaml b/env/sles15/x86_64/admin/unstable/spack.yaml index e5756cb..c7f4229 100644 --- a/env/sles15/x86_64/admin/unstable/spack.yaml +++ b/env/sles15/x86_64/admin/unstable/spack.yaml @@ -25,45 +25,45 @@ spack: set: SLURM_MPI_TYPE: pmix specs: - - fpart@1.6.0/di4akxx - - castep@25.12/chorual - - fastqc@0.12.1/eyuqqvf - - ffbidx@main/lfacuhw - - star@2.7.11a/gdgr2ea - - sratoolkit@3.1.1/7oqp6a3 - - py-pymol@3.1.0/5qcfphh - - valgrind@3.24.0/eicvdsq - - dmtcp@3.0.0/e76t6c5 - - gams@49.1/vztjqs4 - - ghostscript@10.04.0/27dgytn - - ghostscript@10.04.0/sqkkzjs - - nvhpc@25.3/wcwfa56 - - libgd@2.3.3/jdywifq - - geant4@11.2.1/nkib2pg - - root@6.34.06/2wo4ykf - - boost@1.82.0/cawp3cu - arpack-ng@3.9.1/aapiazg - - opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80 - - opal-x@master/cbgsfxb #+cuda cuda_arch=80 + - boost@1.82.0/cawp3cu + - castep@25.12/chorual - cp2k@2024.1/2jesise #~cuda - cp2k@2024.1/zqm5fme #+cuda - - relion@4.0.1/ve5sish - - quantum-espresso@7.3.1/n6mulig #~cuda - - opal@2024.1.0/mhg3mdx - - py-alphafold@2.3.2/xkw7tfm #+cuda - - sundials@7.0.0/xxysszi #+cuda+mpi+openmp cuda_arch=80 - - q-e-sirius@develop-ristretto/bb4v7wz + - dmtcp@3.0.0/e76t6c5 + - fastqc@0.12.1/eyuqqvf + - ffbidx@main/lfacuhw + - fpart@1.6.0/di4akxx + - gams@49.1/vztjqs4 + - geant4@11.2.1/nkib2pg + - ghostscript@10.04.0/27dgytn + - ghostscript@10.04.0/sqkkzjs - gromacs@2024.1/3n7qspb #+cuda - - hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3 - - quantum-espresso@7.4.1/qasxcxt - - quantum-espresso@7.4.0/m7bevi7 - - osu-micro-benchmarks@7.5/tlphstf - - visit@3.4.1/h3a6tat - - gromacs@2025.2/whcqszb - gromacs@2025.2/vbj4i76 + - gromacs@2025.2/whcqszb + - hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3 + - hdf5@1.14.3/yrxkczx + - libgd@2.3.3/jdywifq + - nvhpc@25.3/wcwfa56 + - opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80 + - opal-x@master/cbgsfxb #+cuda cuda_arch=80 + - opal@2024.1.0/mhg3mdx - osu-micro-benchmarks@7.5/exsxjam - osu-micro-benchmarks@7.5/miy6mrp - - hdf5@1.14.3/yrxkczx + - osu-micro-benchmarks@7.5/tlphstf + - py-alphafold@2.3.2/xkw7tfm #+cuda + - py-pymol@3.1.0/5qcfphh + - q-e-sirius@develop-ristretto/bb4v7wz + - quantum-espresso@7.3.1/n6mulig #~cuda + - quantum-espresso@7.4.0/m7bevi7 - quantum-espresso@7.4.1/nxswsd7 #+cuda +mpi +mpigpu + - quantum-espresso@7.4.1/qasxcxt + - relion@4.0.1/ve5sish + - root@6.34.06/2wo4ykf + - sratoolkit@3.1.1/7oqp6a3 + - star@2.7.11a/gdgr2ea + - sundials@7.0.0/xxysszi #+cuda+mpi+openmp cuda_arch=80 - valgrind@3.24.0/eicvdsq + - valgrind@3.24.0/eicvdsq + - visit@3.4.1/h3a6tat view: false