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Spack v1.0.0

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svcusr-spack (Resp. Germann Elsa Sylvia)
2025-07-24 14:00:29 +02:00
parent a7d0c42d39
commit 0f71716d9b
29 changed files with 338 additions and 341 deletions
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1
env/sles15/aarch64/admin/stable/spack.lock vendored
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7
env/sles15/aarch64/admin/stable/spack.yaml vendored
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@@ -29,17 +29,12 @@ spack:
environment:
set:
SLURM_MPI_TYPE: pmix
OMPI_MCA_mtl_ofi_disable_hmem: 'true'
openmpi@main:
environment:
set:
SLURM_MPI_TYPE: pmix
FI_HMEM_CUDA_USE_DMABUF: '1'
OMPI_MCA_coll: '^han'
core_compilers:
- gcc@=7.5.0
specs:
- matrix:
- [$compilers]
- ['%gcc@7.5.0']
specs: []
view: false

38
env/sles15/aarch64/admin/testing/spack.yaml vendored
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@@ -1,12 +1,18 @@
spack:
concretizer:
unify: when_possible
unify: false
targets:
granularity: microarchitectures
reuse:
from:
- type: local
- type: external
- type: buildcache
splice:
explicit:
- target: libfabric@1.15.2.0
replacement: libfabric/auxmn
transitive: false
config:
install_tree:
root: $spack/opt/spack/testing
@@ -29,34 +35,20 @@ spack:
environment:
set:
SLURM_MPI_TYPE: pmix
OMPI_MCA_mtl_ofi_disable_hmem: 'true'
openmpi@main:
environment:
set:
SLURM_MPI_TYPE: pmix
FI_HMEM_CUDA_USE_DMABUF: '1'
OMPI_MCA_coll: '^han'
packages:
# overwrite any existing compiler
'cce:':
buildable: true
'gcc:':
buildable: true
libfuse:
externals:
- spec: libfuse@2.9.7
prefix: /usr
'nvhpc:':
buildable: true
specs: []
'cce:':
buildable: true
specs:
- osu-micro-benchmarks +cuda cuda_arch=90 %gcc@14.2.0 ^openmpi@main +cuda cuda_arch=90 ^libfabric@main+cuda fabrics=lnx,cxi,rxm,tcp,shm ^libcxi+cuda ^cuda@12.8.0
view: false
compilers:
- compiler:
spec: gcc@=7.5.0
paths:
cc: /usr/bin/gcc
cxx: /usr/bin/g++
f77: /usr/bin/gfortran
fc: /usr/bin/gfortran
flags: {}
operating_system: sles15
target: aarch64
modules: []
environment: {}
extra_rpaths: []

2
env/sles15/aarch64/admin/unstable/spack.lock vendored
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77
env/sles15/aarch64/admin/unstable/spack.yaml vendored
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@@ -1,19 +1,17 @@
spack:
concretizer:
targets:
granularity: microarchitectures
unify: false
splice:
explicit:
- target: libfabric@1.15.2.0
replacement: libfabric/auxmn
transitive: false
config:
install_tree:
root: $spack/opt/spack/unstable
definitions:
- compilers_gcc_7.5.0:
- gcc@13.2.0
- gcc@7.5.0
- gcc@=12.3
- gcc@14.2.0/tln2ck4
- nvhpc@24.3
- cce@17.0.0
- compilers_gcc_13.2.0:
- nvhpc@24.11/6wi4jhx
- gcc_7.5.0:
- ffbidx@main/3xig2i
- gcc_13.2.0:
@@ -21,22 +19,28 @@ spack:
- 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/$target_family/sysconfigs/packages.yaml
mirrors:
@@ -59,83 +63,28 @@ spack:
set:
SLURM_MPI_TYPE: pmix
FI_HMEM_CUDA_USE_DMABUF: '1'
OMPI_MCA_coll: '^han'
core_compilers:
- gcc@=7.5.0
specs:
- matrix:
- [$compilers_gcc_7.5.0]
- ['%gcc@7.5.0']
- matrix:
- [$compilers_gcc_13.2.0]
- ['%gcc@13.2.0']
- matrix:
- [$gcc_7.5.0]
- ['%gcc@7.5.0']
- matrix:
- [$gcc_13.2.0]
- ['%gcc@13.2.0']
- matrix:
- [$gcc_14.2.0]
- ['%gcc@14.2.0']
- matrix:
- [$gcc_12.3_cray_mpich]
- ['%gcc@12.3']
- [^cray-mpich]
- matrix:
- [$gcc_12.3_openmpi]
- ['%gcc@12.3']
- [^openmpi]
- matrix:
- [$gcc_13.2_openmpi]
- ['%gcc@13.2']
- [^openmpi]
- matrix:
- [$gcc_14.2_openmpi]
- ['%gcc@14.2']
- [^openmpi]
- matrix:
- [$nvhpc_24.11_openmpi]
- ['%nvhpc@24.11']
- [^openmpi]
view: false
compilers:
- compiler:
spec: gcc@=14.2.0
paths:
cc: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gcc
cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/g++
f77: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gfortran
fc: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gfortran
flags: {}
operating_system: sles15
target: aarch64
modules: []
environment: {}
extra_rpaths: []
- compiler:
spec: gcc@=7.5.0
paths:
cc: /usr/bin/gcc
cxx: /usr/bin/g++
f77: /usr/bin/gfortran
fc: /usr/bin/gfortran
flags: {}
operating_system: sles15
target: aarch64
modules: []
environment: {}
extra_rpaths: []
- compiler:
spec: gcc@=12.3.0
paths:
cc: /usr/bin/gcc-12
cxx: /usr/bin/g++-12
f77: /usr/bin/gfortran-12
fc: /usr/bin/gfortran-12
flags: {}
operating_system: sles15
target: aarch64
modules: []
environment: {}
extra_rpaths: []

31
env/sles15/aarch64/sysconfigs/compilers.yaml vendored
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@@ -1,31 +0,0 @@
compilers:
- compiler:
spec: gcc@=13.2.0
paths:
cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gcc
cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/g++
f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gfortran
fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gfortran
flags: {}
operating_system: sles15
target: aarch64
modules:
- libfabric/1.22.0
environment: {}
extra_rpaths: []
- compiler:
spec: nvhpc@=24.11
paths:
cc: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvc
cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvc++
f77: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvfortran
fc: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvfortran
flags: {}
operating_system: sles15
target: aarch64
modules:
- libfabric/1.22.0
- /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/modulefiles/nvhpc-nompi/24.11
environment: {}
extra_rpaths:
- /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/math_libs/lib64/stubs

64
env/sles15/aarch64/sysconfigs/packages.yaml vendored
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@@ -1,6 +1,5 @@
packages:
all:
compiler: [gcc, nvhpc, cce]
prefer:
- spec: '^openmpi'
when: '^mpi'
@@ -55,11 +54,11 @@ packages:
- modules:
- cray-libsci
prefix: /opt/cray/pe/libsci/23.12.5/cray/17.0/aarch64
spec: cray-libsci@23.12.5%cce@17.0.0 +mpi +openmp
spec: cray-libsci@23.12.5 +mpi +openmp %cce@17.0.0
- modules:
- cray-libsci
prefix: /opt/cray/pe/libsci/23.12.5/GNU/12.3/aarch64/
spec: cray-libsci@23.12.5%gcc@12.3 +mpi +openmp
spec: cray-libsci@23.12.5 +mpi +openmp %gcc@12.3
cray-mpich:
buildable: false
externals:
@@ -123,7 +122,7 @@ packages:
gcc:
externals:
- prefix: /usr
spec: gcc@7.5.0
spec: gcc@7.5.0 languages='c,c++,fortran'
extra_attributes:
compilers:
c: /usr/bin/gcc
@@ -131,10 +130,9 @@ packages:
fortran: /usr/bin/gfortran
operating_system: sles15
target: aarch64
modules:
- libfabric/1.22.0
modules: ['libfabric/1.22.0']
- prefix: /usr
spec: gcc@=12.3
spec: gcc@=12.3 languages='c,c++,fortran'
extra_attributes:
compilers:
c: /usr/bin/gcc-12
@@ -142,10 +140,22 @@ packages:
fortran: /usr/bin/gfortran-12
operating_system: sles15
target: aarch64
modules:
- libfabric/1.22.0
- PrgEnv-gnu/8.5.0
- gcc-native/12.3
modules: ['libfabric/1.22.0', 'PrgEnv-gnu/8.5.0', 'gcc-native/12.3']
- spec: gcc@=13.2.0 languages='c,c++,fortran'
prefix: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3
extra_attributes:
compilers:
c: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gcc
cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/g++
fortran: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-aarch64/gcc-7.5.0/gcc-13.2.0-a3pki4ocu2ipqupkaf6ghg6hry4pkxg3/bin/gfortran
modules: ['libfabric/1.22.0']
- spec: gcc@=14.2.0 languages='c,c++,fortran'
prefix: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv
extra_attributes:
compilers:
c: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gcc
cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/g++
fortran: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-7.5.0/gcc-14.2.0-tln2ck4lolcipi2fj2klu5dei3oac4sv/bin/gfortran
gdbm:
require: '%gcc@7.5.0'
gettext:
@@ -159,13 +169,13 @@ packages:
libbsd:
require: '%gcc@7.5.0'
libcxi:
require: '@main'
require: '@main+cuda'
libevent:
require: '%gcc@7.5.0'
# Crayism
libfabric:
buildable: true
require: '@main+cuda+uring fabrics=cxi,sockets,tcp,udp,xpmem'
require: '@main+uring+cuda fabrics=lnx,cxi,rxm,shm,sockets,tcp,udp,xpmem'
externals:
- modules:
- libfabric/1.22.0
@@ -182,6 +192,8 @@ packages:
require: '%gcc@7.5.0'
libmd:
require: '%gcc@7.5.0'
libnl:
require: '%gcc@7.5.0'
libpciaccess:
require: '%gcc@7.5.0'
libsigsegv:
@@ -193,6 +205,14 @@ packages:
spec: librsvg@2.48.0
libtool:
require: '%gcc@7.5.0'
libunistring:
require: '%gcc@7.5.0'
liburing:
require: '%gcc@7.5.0'
libuv:
require: '%gcc@7.5.0'
libxcrypt:
require: '%gcc@7.5.0'
libxml2:
require: '%gcc@7.5.0'
llvm:
@@ -241,22 +261,28 @@ packages:
nvhpc:
externals:
- prefix: /opt/nvidia/hpc_sdk
spec: nvhpc@24.3
spec: nvhpc@24.3 languages='c,c++,fortran'
extra_attributes:
compilers:
c: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvc
cxx: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvc++
fortran: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvfortran
operating_system: sles15
modules: nvhpc-nompi/24.3
extra_rpaths:
- /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/math_libs/lib64/stubs
- spec: nvhpc@=24.11 languages='c,c++,fortran'
prefix: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl
extra_attributes:
compilers:
c: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvc
cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvc++
fortran: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/compilers/bin/nvfortran
modules: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/modulefiles/nvhpc-nompi/24.11
extra_rpaths:
- /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-aarch64/gcc-13.2.0/nvhpc-24.11-6wi4jhxcgbkzgrw6fgrutvten74l5ovl/Linux_aarch64/24.11/math_libs/lib64/stubs
opal:
require:
- spec: '%gcc'
- message: Opal 2022.1.0 only builds with gcc@10.4.0
spec: '%gcc@10.4.0 ^openmpi'
when: '@2022.1.0'
opengl:
require: '%gcc@7.5.0'
openldap:
@@ -314,7 +340,7 @@ packages:
buildable: false
externals:
- prefix: /usr
spec: slurm@24.05.3%gcc@7.5.0 +cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd
spec: slurm@24.05.3+cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd %gcc@7.5.0
sqlite:
require: '%gcc@7.5.0'
tar:

2
env/sles15/x86_64/admin/stable/spack.lock vendored
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18
env/sles15/x86_64/admin/stable/spack.yaml vendored
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@@ -6,14 +6,6 @@ spack:
install_tree:
root: $spack/opt/spack/stable
definitions:
- compilers:
- gcc@7.5.0
- gcc@=12.3.0
- intel-oneapi-compilers@=2024.1.0
- intel-oneapi-compilers@=2022.1.0
- gcc@=13.2.0
- nvhpc@23.9
- cce@17.0.0
- gcc_7.5.0:
- fpart@1.6.0/di4akxx
- gcc_12.3_mpich:
@@ -22,7 +14,6 @@ spack:
- opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
include:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable
mirrors:
@@ -35,26 +26,19 @@ spack:
cray-mpich:
environment:
set:
SLURM_MPI_TYPE: 'pmix'
SLURM_MPI_TYPE: 'cray_shasta'
LD_LIBRARY_PATH: '/opt/cray/libfabric/1.22.0/lib64'
openmpi:
environment:
set:
SLURM_MPI_TYPE: 'pmix'
OMPI_MCA_mtl_ofi_disable_hmem: 'true'
specs:
- matrix:
- [$compilers]
- ['%gcc@7.5.0']
- matrix:
- [$gcc_7.5.0]
- ['%gcc@7.5.0']
- matrix:
- [$gcc_12.3_mpich]
- ['%gcc@12.3']
- [^cray-mpich]
- matrix:
- [$gcc_13.2_openmpi]
- ['%gcc@13.2']
- [^openmpi]
view: false

92
env/sles15/x86_64/admin/testing/spack.yaml vendored
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@@ -1,6 +1,13 @@
spack:
concretizer:
unify: false
reuse:
from:
- type: local
- type: external
- type: buildcache
#targets:
# granularity: microarchitectures
config:
install_tree:
root: $spack/opt/spack/testing
@@ -10,8 +17,8 @@ spack:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/testing
mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing
# mirrors:
# local_psi: file:///afs/psi.ch/software/spack/testing
modules:
default:
roots:
@@ -26,7 +33,84 @@ spack:
environment:
set:
SLURM_MPI_TYPE: pmix
OMPI_MCA_mtl_ofi_disable_hmem: 'true'
packages:
# nvhpc:
# externals:
# - spec: nvhpc@25.3~blas~lapack~mpi
# prefix: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64_v3/nvhpc-25.3-mm5vxcjzro4g6lmkxfd6j6qdzyxa2kyn/Linux_x86_64/25.3/compilers
# extra_attributes:
# compilers:
# c: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64_v3/nvhpc-25.3-mm5vxcjzro4g6lmkxfd6j6qdzyxa2kyn/Linux_x86_64/25.3/compilers/bin/nvc
# cxx: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64_v3/nvhpc-25.3-mm5vxcjzro4g6lmkxfd6j6qdzyxa2kyn/Linux_x86_64/25.3/compilers/bin/nvc++
# fortran: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64_v3/nvhpc-25.3-mm5vxcjzro4g6lmkxfd6j6qdzyxa2kyn/Linux_x86_64/25.3/compilers/bin/nvfortran
# c:
# prefer:
# - nvhpc@25.3
# cxx:
# prefer:
# - nvhpc@25.3
# fortran:
# prefer:
# - nvhpc@25.3
gcc:
externals:
- spec: gcc@14.2.0 languages='c,c++,fortran'
prefix: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64/gcc-14.2.0-mjf4kdp65lctjxkbtvcf2qbhc5z3lsyd
extra_attributes:
compilers:
c: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64/gcc-14.2.0-mjf4kdp65lctjxkbtvcf2qbhc5z3lsyd/bin/gcc
cxx: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64/gcc-14.2.0-mjf4kdp65lctjxkbtvcf2qbhc5z3lsyd/bin/g++
fortran: /afs/psi.ch/sys/spack/develop/opt/spack/testing/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeholder__/__spack_path_placeh/linux-x86_64/gcc-14.2.0-mjf4kdp65lctjxkbtvcf2qbhc5z3lsyd/bin/gfortran
- spec: gcc@7.5.0 languages='c,c++,fortran'
prefix: /usr
extra_attributes:
compilers:
c: /usr/bin/gcc
cxx: /usr/bin/g++
fortran: /usr/bin/gfortran
# - spec: gcc@12.3 languages='c,c++,fortran'
# prefix: /usr
# extra_attributes:
# compilers:
# c: /usr/bin/gcc-12
# cxx: /usr/bin/g++-12
# fortran: /usr/bin/gfortran-12
# - spec: gcc@=13.2.0 languages='c,c++,fortran'
# prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7
# extra_attributes:
# compilers:
# c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gcc
# cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/g++
# fortran: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gfortran
'hdf5:':
buildable: true
libfuse:
externals:
- spec: libfuse@2.9.7
prefix: /usr
librsvg:
buildable: false
externals:
- spec: librsvg@2.2.0
prefix: /usr
'cce:':
buildable: true
'nvhpc:':
buildable: true
'intel-oneapi-compilers:':
buildable: true
'intel-oneapi-compilers-classic:':
buildable: true
'intel-oneapi-mpi:':
buildable: true
'fftw:':
buildable: true
specs:
-
- valgrind +mpi %gcc@12.3
#- castep@25.12 %gcc@12.3 fflags=-fallow-argument-mismatch
#- cp2k@2025.1 fflags=-fallow-argument-mismatch +cosma+plumed+sirius+cuda cuda_arch=80 %gcc@12.3 ^sirius +scalapack ^cosma +gpu_direct
#- gcc@13.2.0
#- opal-x@master +cuda+fft+mpi+solvers+tests cuda_arch=80 %gcc@13.2.0 ^openmpi ^hdf5@1.14.3 ^hwloc@2.11.1 %gcc@7.5.0
view: false
mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing

2
env/sles15/x86_64/admin/unstable/spack.lock vendored
View File

File diff suppressed because one or more lines are too long

58
env/sles15/x86_64/admin/unstable/spack.yaml vendored
View File

@@ -5,28 +5,30 @@ spack:
install_tree:
root: $spack/opt/spack/unstable
definitions:
- compilers:
- gcc@7.5.0
- gcc@9.5.0/ow3yhui
- gcc@=12.3
- intel-oneapi-compilers@=2024.1.0
- intel-oneapi-compilers@=2022.1.0
- gcc@=13.2.0 arch=linux-sles15-x86_64
- nvhpc@23.9
- cce@17.0.0
- gcc_7.5.0:
- fpart@1.6.0/di4akxx
- visit@3.3.3/fo37wwb
- castep@25.12/chorual
- gcc_12.3:
- 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
- gcc_13.2:
- 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
- gcc_13.2_openmpi:
- opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
- opal-x@master/cbgsfxb #+cuda cuda_arch=80
- gcc_12.3_mpich:
- cp2k@2024.1/2jesise #~cuda
- cp2k@2024.1/zqm5fme #+cuda
@@ -40,10 +42,20 @@ spack:
- gcc_12.3_openmpi:
- 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
- gcc_14.2.0_openmpi:
- osu-micro-benchmarks@7.5/tlphstf
- visit@3.4.1/h3a6tat
- gromacs@2025.2/whcqszb
- gromacs@2025.2/vbj4i76
- gcc_14.2.0_mpich:
- osu-micro-benchmarks@7.5/exsxjam
- osu-micro-benchmarks@7.5/miy6mrp
- intel_2021.6.0:
- hdf5@1.14.3/yrxkczx
- nvhpc_23.9_openmpi:
- quantum-espresso@7.3.1/le35al7 #+cuda
- quantum-espresso@7.4.1/nxswsd7 #+cuda +mpi +mpigpu
include:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
include_concrete:
@@ -58,47 +70,41 @@ spack:
cray-mpich:
environment:
set:
SLURM_MPI_TYPE: 'pmix'
SLURM_MPI_TYPE: cray_shasta
LD_LIBRARY_PATH: /opt/cray/libfabric/1.22.0/lib64
openmpi:
environment:
set:
SLURM_MPI_TYPE: 'pmix'
OMPI_MCA_mtl_ofi_disable_hmem: 'true'
SLURM_MPI_TYPE: pmix
specs:
- matrix:
- [$compilers]
- ['%gcc@7.5.0']
- matrix:
- [$gcc_7.5.0]
- ['%gcc@7.5.0']
- matrix:
- [$gcc_12.3]
- ['%gcc@12.3']
- matrix:
- [$gcc_13.2]
- ['%gcc@13.2']
- matrix:
- [$gcc_13.2_openmpi]
- ['%gcc@13.2']
- [^openmpi]
- matrix:
- [$gcc_12.3_mpich]
- ['%gcc@12.3']
- [^cray-mpich]
- matrix:
- [$gcc_14.2.0_mpich]
- [^mpich]
- matrix:
- [$gcc_9.5.0_openmpi]
- ['%gcc@9.5.0']
- [^openmpi]
- matrix:
- [$gcc_14.2.0_openmpi]
- [^openmpi]
- matrix:
- [$gcc_12.3_openmpi]
- ['%gcc@12.3']
- [^openmpi]
- matrix:
- [$intel_2021.6.0]
- ['%intel@2021.6.0']
- matrix:
- [$nvhpc_23.9_openmpi]
- ['%nvhpc@23.9']
- [^openmpi]
- valgrind@3.24.0/eicvdsq
view: false

57
env/sles15/x86_64/sysconfigs/compilers.yaml vendored
View File

@@ -1,57 +0,0 @@
compilers:
- compiler:
spec: intel@=2021.6.0
paths:
cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icc
cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icpc
f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/ifort
fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/ifort
flags: {}
operating_system: sles15
target: x86_64
modules:
- libfabric/1.22.0
environment: {}
extra_rpaths: []
- compiler:
spec: oneapi@=2022.1.0
paths:
cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icx
cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icpx
f77: null
fc: null
flags: {}
operating_system: sles15
target: x86_64
modules:
- libfabric/1.22.0
environment: {}
extra_rpaths: []
- compiler:
spec: gcc@=13.2.0
paths:
cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gcc
cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/g++
f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gfortran
fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gfortran
flags: {}
operating_system: sles15
target: x86_64
modules:
- libfabric/1.22.0
environment: {}
extra_rpaths: []
- compiler:
spec: gcc@=9.5.0
paths:
cc: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gcc
cxx: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/g++
f77: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gfortran
fc: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gfortran
flags: {}
operating_system: sles15
target: x86_64
modules:
- libfabric/1.22.0
environment: {}
extra_rpaths: []

177
env/sles15/x86_64/sysconfigs/packages.yaml vendored
View File

@@ -1,53 +1,50 @@
packages:
all:
compiler: [gcc, nvhpc, cce]
prefer:
- spec: '^openmpi'
when: '^mpi'
providers:
blas: [openblas, nvhpc, cray-libsci]
lapack: [openblas, nvhpc, cray-libsci]
blas: [openblas, nvpl-blas, cray-libsci]
lapack: [openblas, nvpl-lapack, cray-libsci]
mpi: [openmpi, cray-mpich]
pkgconfig: [pkg-config]
scalapack: [cray-libsci]
variants:
- cuda_arch=80
require:
- spec: "os=sles15"
- spec: "target=x86_64"
when: "%gcc"
- spec: "target=zen3"
when: "%nvhpc"
variants:
- cuda_arch=80
autoconf:
require: '%gcc@7.5.0'
# autoconf:
# require: '^gcc'
automake:
require: '%gcc@7.5.0'
berkeley-db:
require: '%gcc@7.5.0'
boost:
require: '%gcc@7.5.0'
require: '%gcc'
ca-certificates-mozilla:
require: '%gcc@7.5.0'
cce:
externals:
- modules:
- libfabric/1.22.0
- PrgEnv-cray/8.5.0
- cce/17.0.0
spec: cce@=17.0.0
extra_attributes:
compilers:
c: cc
cxx: CC
fortran: ftn
operating_system: sles15
target: x86_64
# cce:
# externals:
# - modules:
# - libfabric/1.22.0
# - PrgEnv-cray/8.5.0
# - cce/17.0.0
# spec: cce@=17.0.0
# extra_attributes:
# compilers:
# c: cc
# cxx: CC
# fortran: ftn
# operating_system: sles15
# target: x86_64
cairo:
require: '%gcc@7.5.0'
cassini-headers:
require: '@main'
cmake:
require: '%gcc'
require: '^gcc'
coreutils:
require: '%gcc@7.5.0'
cray-libsci:
@@ -56,29 +53,31 @@ packages:
- modules:
- cray-libsci
prefix: /opt/cray/pe/libsci/23.12.5/cray/17.0/x86_64
spec: cray-libsci@23.12.5%cce@17.0.0 +mpi +openmp
spec: cray-libsci@23.12.5+mpi+openmp%cce@17.0.0
- modules:
- cray-libsci
prefix: /opt/cray/pe/libsci/23.12.5/GNU/12.3/x86_64/
spec: cray-libsci@23.12.5%gcc@12.3 +mpi +openmp
spec: cray-libsci@23.12.5+mpi+openmp^gcc@12.3
cray-mpich:
buildable: false
externals:
- modules:
- cray-mpich
- libfabric/1.22.0
prefix: /opt/cray/pe/mpich/8.1.28/ofi/cray/17.0
spec: cray-mpich@8.1.28%cce@17.0.0
- modules:
- cray-mpich
- libfabric/1.22.0
prefix: /opt/cray/pe/mpich/8.1.28/ofi/gnu/12.3
spec: cray-mpich@8.1.28%gcc@12.3
spec: cray-mpich@8.1.28^gcc@12.3
cray-pmi:
buildable: false
externals:
- modules:
- cray-pmi
prefix: /opt/cray/pe/pmi/6.1.13
spec: cray-pmi@6.1.13%gcc
spec: cray-pmi@6.1.13^gcc
cuda:
prefer:
- spec: '@12.8.0'
@@ -99,7 +98,7 @@ packages:
- modules:
- cray-fftw/3.3.10.6
prefix: /opt/cray/pe/fftw/3.3.10.6/x86_64
spec: fftw@3.3.10.6+mpi+openmp~pfft_patches precision=double,float%gcc@12.3
spec: fftw@3.3.10.6+mpi+openmp~pfft_patches precision=double,float^gcc@12.3
findutils:
require: '%gcc@7.5.0'
flex:
@@ -112,30 +111,44 @@ packages:
require: '%gcc@7.5.0'
gcc:
externals:
- prefix: /usr
spec: gcc@7.5.0
- spec: gcc@7.5.0 languages='c,c++,fortran'
prefix: /usr
extra_attributes:
compilers:
c: /usr/bin/gcc
cxx: /usr/bin/g++
fortran: /usr/bin/gfortran
operating_system: sles15
target: x86_64
modules:
- libfabric/1.22.0
- prefix: /usr
spec: gcc@=12.3
- spec: gcc@12.3 languages='c,c++,fortran'
prefix: /usr
extra_attributes:
compilers:
c: /usr/bin/gcc-12
cxx: /usr/bin/g++-12
fortran: /usr/bin/gfortran-12
operating_system: sles15
target: x86_64
modules:
- libfabric/1.22.0
- PrgEnv-gnu/8.5.0
- gcc-native/12.3
- spec: gcc@=13.2.0 languages='c,c++,fortran'
prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7
extra_attributes:
compilers:
c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gcc
cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/g++
fortran: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/gcc-13.2.0-2k3w3v2u5u6bfnoxl5rgnnna4on3lku7/bin/gfortran
modules: libfabric/1.22.0
- spec: gcc@=9.5.0 languages='c,c++,fortran'
prefix: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp
extra_attributes:
compilers:
c: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gcc
cxx: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/g++
fortran: /afs/psi.ch/sys/spack/0.23.0/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-9.5.0-ow3yhuibzp7u753hyh5xngfgegxgijxp/bin/gfortran
modules: libfabric/1.22.0
- spec: gcc@=14.2.0 languages='c,c++,fortran'
prefix: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-14.2.0-jzgck7w35mj62amibctygaltet3udp7k
extra_attributes:
compilers:
c: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-14.2.0-jzgck7w35mj62amibctygaltet3udp7k/bin/gcc
cxx: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-14.2.0-jzgck7w35mj62amibctygaltet3udp7k/bin/g++
fortran: /afs/psi.ch/sys/spack/develop/opt/spack/unstable/linux-sles15-x86_64/gcc-7.5.0/gcc-14.2.0-jzgck7w35mj62amibctygaltet3udp7k/bin/gfortran
modules: libfabric/1.22.0
gdbm:
require: '%gcc@7.5.0'
gettext:
@@ -150,16 +163,39 @@ packages:
require: '%gcc@7.5.0'
gtkplus:
require: 'default_library=shared,static'
hdf5:
externals:
- prefix: '/opt/cray/pe/hdf5-parallel/1.12.2.9/gnu/12.3'
spec: 'hdf5@1.12.2.9+fortran+hl+mpi^gcc@12.3 ^cray-mpich'
- prefix: '/opt/cray/pe/hdf5/1.12.2.9/gnu/12.3'
spec: 'hdf5@1.12.2.9+fortran+hl~mpi^gcc@12.3 ^cray-mpich'
intel-oneapi-compilers:
externals:
- spec: intel-oneapi-compilers@2022.1.0
prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7
extra_attributes:
compilers:
c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icx
cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/icpx
intel-oneapi-compilers-classic:
externals:
- spec: intel-oneapi-compilers-classic@2021.6.0
prefix: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux
extra_attributes:
compilers:
c: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icc
cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/icpc
fortran: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-bf6lcbnmvgeb57jaihsfu22xlbgmmqe7/compiler/2022.1.0/linux/bin/intel64/ifort
libbsd:
require: '%gcc@7.5.0'
libcxi:
require: '@main'
require: '@main+cuda'
libevent:
require: '%gcc@7.5.0'
# Crayism
libfabric:
buildable: true
require: '@main+cuda+uring fabrics=cxi,sockets,tcp,udp,xpmem'
require: '@main+uring+cuda fabrics=lnx,cxi,rxm,shm,sockets,tcp,udp,xpmem'
externals:
- modules:
- libfabric/1.22.0
@@ -168,15 +204,25 @@ packages:
libiconv:
require: '%gcc@7.5.0'
libidn2:
require: '%gcc@7.5.0'
require: '^gcc'
libmd:
require: '%gcc@7.5.0'
libnl:
require: '^gcc'
libpciaccess:
require: '%gcc@7.5.0'
libsigsegv:
require: '%gcc@7.5.0'
libtool:
require: '%gcc@7.5.0'
liburing:
require: '^gcc'
libunistring:
require: '^gcc'
libuv:
require: '^gcc'
libxcrypt:
require: '^gcc'
libxml2:
require: '%gcc@7.5.0'
llvm:
@@ -203,11 +249,11 @@ packages:
- modules:
- cray-netcdf/4.9.0.9
prefix: /opt/cray/pe/netcdf/4.9.0.9/gnu/12.3
spec: netcdf-c@4.9.0.9~dap~hdf4~jna~mpi~parallel-netcdf+shared%gcc@12.3
spec: netcdf-c@4.9.0.9~dap~hdf4~jna~mpi~parallel-netcdf+shared^gcc@12.3
- modules:
- cray-netcdf-hdf5parallel/4.9.0.9
prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.9/gnu/12.3
spec: netcdf-c@4.9.0.9~dap~hdf4~jna+mpi~parallel-netcdf+shared%gcc@12.3
spec: netcdf-c@4.9.0.9~dap~hdf4~jna+mpi~parallel-netcdf+shared^gcc@12.3
netcdf-fortran:
externals:
- modules:
@@ -217,18 +263,18 @@ packages:
- modules:
- cray-netcdf/4.9.0.9
prefix: /opt/cray/pe/netcdf/4.9.0.9/gnu/12.3
spec: netcdf-fortran@4.9.0.9~doc+shared%gcc@12.3
spec: netcdf-fortran@4.9.0.9~doc+shared^gcc@12.3
ninja:
require: '%gcc@7.5.0'
numactl:
require: '%gcc@7.5.0'
nvhpc:
externals:
- spec: nvhpc@23.9
- spec: nvhpc@23.9 languages='c,c++,fortran'
prefix: /opt/nvidia/hpc_sdk
extra_attributes:
compilers:
c: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvc
cc: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvc
cxx: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvc++
fortran: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/bin/nvfortran
operating_system: sles15
@@ -238,10 +284,12 @@ packages:
LD_LIBRARY_PATH: '/opt/nvidia/hpc_sdk/Linux_x86_64/23.9/compilers/lib:/opt/nvidia/hpc_sdk/Linux_x86_64/23.9/math_libs/lib64/stubs'
opal:
require:
- spec: '%gcc'
- message: Opal 2022.1.0 only builds with gcc@10.4.0
spec: '%gcc@10.4.0 ^openmpi'
when: '@2022.1.0'
- spec: '^gcc'
# - message: Opal 2022.1.0 only builds with gcc@10.4.0
# spec: '^gcc@10.4.0 ^openmpi'
# when: '@2022.1.0'
openblas:
require: '^gcc'
opengl:
require: '%gcc@7.5.0'
openldap:
@@ -251,9 +299,9 @@ packages:
spec: openldap@2.4.46
openmpi:
require:
- spec: "schedulers=slurm fabrics=ofi,xpmem +cuda +internal-pmix"
- spec: "schedulers=slurm +cuda fabrics=ofi,xpmem +internal-pmix"
when: "@5.0.0:"
- spec: "schedulers=slurm fabrics=ofi,xpmem +pmi +cxx +cxx_exceptions +cuda +legacylaunchers"
- spec: "schedulers=slurm +cuda fabrics=ofi,xpmem +pmi +cxx +cxx_exceptions +legacylaunchers"
when: "@:5.0.0"
openssh:
require: '%gcc@7.5.0'
@@ -268,7 +316,7 @@ packages:
- modules:
- cray-parallel-netcdf/1.12.3.9
prefix: /opt/cray/pe/parallel-netcdf/1.12.3.9/gnu/12.3
spec: parallel-netcdf@1.12.3.9+cxx+fortran%gcc@12.3
spec: parallel-netcdf@1.12.3.9+cxx+fortran^gcc@12.3
perl:
buildable: false
externals:
@@ -280,13 +328,8 @@ packages:
require: '%gcc@7.5.0'
pmix:
require: '+munge'
py-fypp:
require: '%gcc@7.5.0'
python:
require: '%gcc@7.5.0'
# QE is unable to find out cray-libsci
quantum-espresso:
require: ~scalapack ^openblas
rdma-core:
require: '%gcc@7.5.0'
readline:
@@ -295,7 +338,7 @@ packages:
buildable: false
externals:
- prefix: /usr
spec: slurm@23.11.8%gcc@7.5.0 +cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd
spec: slurm@23.11.8+cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd%gcc@7.5.0
sqlite:
require: '%gcc@7.5.0'
tar:
@@ -306,8 +349,6 @@ packages:
require: '%gcc@7.5.0'
util-linux-uuid:
require: '%gcc@7.5.0'
util-macros:
require: '%gcc@7.5.0'
xpmem:
buildable: false
externals:
@@ -323,5 +364,7 @@ packages:
spec: xz@5.2.3
zlib:
require: '%gcc@7.5.0'
zlib-ng:
require: '%gcc@7.5.0'
zstd:
require: '%gcc@7.5.0'

2
packages/amrex/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.amrex import Amrex as SpackAmrex
from spack_repo.builtin.packages.amrex.package import Amrex as SpackAmrex
class Amrex(SpackAmrex):

2
packages/cray-libsci/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.cray_libsci import CrayLibsci as SpackCrayLibsci
from spack_repo.builtin.packages.cray_libsci.package import CrayLibsci as SpackCrayLibsci
class CrayLibsci(SpackCrayLibsci):

3
packages/cuda/package.py
View File

@@ -5,7 +5,7 @@
from spack.package import *
from spack.pkg.builtin.cuda import Cuda as SpackCuda
from spack_repo.builtin.packages.cuda.package import Cuda as SpackCuda
class Cuda(SpackCuda):
@@ -16,3 +16,4 @@ class Cuda(SpackCuda):
if '%nvhpc' in self.spec:
env.prepend_path("LD_LIBRARY_PATH", self.prefix.lib64)
env.prepend_path("LD_LIBRARY_PATH", join_path(self.prefix, '../math_libs/lib64'))

2
packages/gams/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.gams import Gams as SpackGams
from spack_repo.builtin.packages.gams.package import Gams as SpackGams
class Gams(SpackGams):

4
packages/h5hut/package.py
View File

@@ -24,6 +24,10 @@ class H5hut(AutotoolsPackage):
variant("fortran", default=True, description="Enable Fortran support")
variant("mpi", default=True, description="Enable MPI support")
depends_on("c", type="build") # generated
depends_on("cxx", type="build") # generated
depends_on("fortran", type="build") # generated
depends_on("autoconf", type="build", when="build_system=autotools")
depends_on("automake", type="build", when="build_system=autotools")
depends_on("libtool", type="build", when="build_system=autotools")

1
packages/opal-x/package.py
View File

@@ -61,6 +61,7 @@ class OpalX(CMakePackage, CudaPackage):
depends_on("gsl@2.7+shared")
depends_on("gnutls@3.5.19:")
depends_on("cuda@12.4.0:")
depends_on("zlib")
depends_on("h5hut+mpi", when="+mpi")

2
packages/py-absl-py/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.py_absl_py import PyAbslPy as SpackPyAbslPy
from spack_repo.builtin.packages.py_absl_py.package import PyAbslPy as SpackPyAbslPy
class PyAbslPy(SpackPyAbslPy):

2
packages/py-chex/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.py_chex import PyChex as SpackPyChex
from spack_repo.builtin.packages.py_chex.package import PyChex as SpackPyChex
class PyChex(SpackPyChex):

2
packages/py-dm-haiku/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.py_dm_haiku import PyDmHaiku as SpackPyDmHaiku
from spack_repo.builtin.packages.py_dm_haiku.package import PyDmHaiku as SpackPyDmHaiku
class PyDmHaiku(SpackPyDmHaiku):

2
packages/py-immutabledict/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.py_immutabledict import PyImmutabledict as SpackPyImmutabledict
from spack_repo.builtin.packages.py_immutabledict.package import PyImmutabledict as SpackPyImmutabledict
class PyImmutabledict(SpackPyImmutabledict):

2
packages/py-jax/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.py_jax import PyJax as SpackPyJax
from spack_repo.builtin.packages.py_jax.package import PyJax as SpackPyJax
class PyJax(SpackPyJax):

2
packages/py-jaxlib/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.py_jaxlib import PyJaxlib as SpackPyJaxlib
from spack_repo.builtin.packages.py_jaxlib.package import PyJaxlib as SpackPyJaxlib
class PyJaxlib(SpackPyJaxlib):

2
packages/relion/package.py
View File

@@ -5,7 +5,7 @@
from spack.package import *
from spack.pkg.builtin.relion import Relion as SpackRelion
from spack_repo.builtin.packages.relion.package import Relion as SpackRelion
class Relion(SpackRelion):

3
packages/slurm/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.slurm import Slurm as SpackSlurm
from spack_repo.builtin.packages.slurm.package import Slurm as SpackSlurm
class Slurm(SpackSlurm):
@@ -25,3 +25,4 @@ class Slurm(SpackSlurm):
args.append("--with-cray_shasta")
return args

2
packages/sratoolkit/package.py
View File

@@ -6,7 +6,7 @@
import os
from spack.package import *
from spack.pkg.builtin.sratoolkit import Sratoolkit as SpackSratoolkit
from spack_repo.builtin.packages.sratoolkit.package import Sratoolkit as SpackSratoolkit
class Sratoolkit(SpackSratoolkit):