HPCE/spack-psi
0
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

FIX: clean-up aarch64 env and sort envs

Browse Source
This commit is contained in:
germann_e
2025-08-19 14:55:31 +02:00
parent 6213d0a9d6
commit fcf27efafc
3 changed files with 55 additions and 86 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
env/sles15/aarch64/admin/stable/spack.yaml vendored
View File

@@ -24,7 +24,7 @@ spack:
cray-mpich: cray-mpich:
environment: environment:
set: set:
SLURM_MPI_TYPE: pmix SLURM_MPI_TYPE: cray_shasta
openmpi: openmpi:
environment: environment:
set: set:

75
env/sles15/aarch64/admin/unstable/spack.yaml vendored
View File

@@ -11,36 +11,6 @@ spack:
config: config:
install_tree: install_tree:
root: $spack/opt/spack/unstable 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: include:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
mirrors: mirrors:
@@ -53,8 +23,7 @@ spack:
cray-mpich: cray-mpich:
environment: environment:
set: set:
SLURM_MPI_TYPE: pmix SLURM_MPI_TYPE: cray_shasta
openmpi:
environment: environment:
set: set:
SLURM_MPI_TYPE: pmix SLURM_MPI_TYPE: pmix
@@ -66,25 +35,25 @@ spack:
core_compilers: core_compilers:
- gcc@=7.5.0 - gcc@=7.5.0
specs: specs:
- matrix: - aws-ofi-nccl@1.13.0/nz3b3yk
- [$gcc_7.5.0] - cp2k@2024.3/m3eow6e #+cuda
- matrix: - dssp@2.3.0/xfc2pth
- [$gcc_13.2.0] - ffbidx@main/3xig2i
- matrix: - gromacs@2024.1/x33hfjx
- [$gcc_14.2.0] - gromacs@2025.2/cjnqxp7
- matrix: - opal-x@fixSolverUnits/ttg7vdz
- [$gcc_12.3_cray_mpich] - opal-x@master/v6v2ehx
- [^cray-mpich] - osu-micro-benchmarks@7.5/6ycu464
- matrix: - osu-micro-benchmarks@7.5/a2kzi4a # OSS libfabric@1.22.0
- [$gcc_12.3_openmpi] - osu-micro-benchmarks@7.5/bfdstf3 # OSS libfabric@main openmpi@5.0.7
- [^openmpi] - osu-micro-benchmarks@7.5/c25hiuy # System libfabric@1.22.0
- matrix: - osu-micro-benchmarks@7.5/mit3iil
- [$gcc_13.2_openmpi] - py-torchaudio@2.5.1/trrglyu
- [^openmpi] - py-torchvision@0.20.1/ysfcgu5
- matrix: - quantum-espresso@7.3.1/d5wpqzw
- [$gcc_14.2_openmpi] - quantum-espresso@7.4.1/gxvju5o
- [^openmpi] - quantum-espresso@7.4/oed4w6w #+cuda +mpigpu hdf5=parallel
- matrix: - relion@4.0.1/rudfcxt
- [$nvhpc_24.11_openmpi] - relion@5.0.0/oyf4n7i
- [^openmpi] - relion@5.0.0/wk4d62r
view: false view: false

64
env/sles15/x86_64/admin/unstable/spack.yaml vendored
View File

@@ -25,45 +25,45 @@ spack:
set: set:
SLURM_MPI_TYPE: pmix SLURM_MPI_TYPE: pmix
specs: 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 - arpack-ng@3.9.1/aapiazg
- opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80 - boost@1.82.0/cawp3cu
- opal-x@master/cbgsfxb #+cuda cuda_arch=80 - castep@25.12/chorual
- cp2k@2024.1/2jesise #~cuda - cp2k@2024.1/2jesise #~cuda
- cp2k@2024.1/zqm5fme #+cuda - cp2k@2024.1/zqm5fme #+cuda
- relion@4.0.1/ve5sish - dmtcp@3.0.0/e76t6c5
- quantum-espresso@7.3.1/n6mulig #~cuda - fastqc@0.12.1/eyuqqvf
- opal@2024.1.0/mhg3mdx - ffbidx@main/lfacuhw
- py-alphafold@2.3.2/xkw7tfm #+cuda - fpart@1.6.0/di4akxx
- sundials@7.0.0/xxysszi #+cuda+mpi+openmp cuda_arch=80 - gams@49.1/vztjqs4
- q-e-sirius@develop-ristretto/bb4v7wz - geant4@11.2.1/nkib2pg
- ghostscript@10.04.0/27dgytn
- ghostscript@10.04.0/sqkkzjs
- gromacs@2024.1/3n7qspb #+cuda - 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/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/exsxjam
- osu-micro-benchmarks@7.5/miy6mrp - 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/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
- valgrind@3.24.0/eicvdsq
- visit@3.4.1/h3a6tat
view: false view: false