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base: HPCE:refactoring_16.10.2024
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HPCE:main HPCE:refactoring_16.10.2024 HPCE:add_cmatrix HPCE:rhel7
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compare: HPCE:add_cmatrix
Branches Tags
HPCE:main HPCE:refactoring_16.10.2024 HPCE:add_cmatrix HPCE:rhel7

1 Commits
refactorin ... add_cmatri

Author SHA1 Message Date
Hans-Nikolai Viessmann
fcef51268f ADD: cmatrix and kbd packages 
cmatrix is fun little terminal program to generate a Matrix-style
screen. The kbd runtime dependency is used to modify TTY settings.
 2024-09-25 14:13:58 +02:00
40 changed files with 93 additions and 1257 deletions
Expand all files Collapse all files

4
env/rhel7/x86_64/admin/stable/spack.yaml vendored
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@ -13,8 +13,8 @@ spack:
- gcc_12.3.0_openmpi: - gcc_12.3.0_openmpi:
- opal@master/l4dkgyf - opal@master/l4dkgyf
include: include:
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
mirrors: mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing local_psi: file:///afs/psi.ch/software/spack/testing
modules: modules:

4
env/rhel7/x86_64/admin/testing/spack.yaml vendored
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@ -8,8 +8,8 @@ spack:
# Strongly adviced to avoid problems with buildcaches # Strongly adviced to avoid problems with buildcaches
padded_length: 256 padded_length: 256
include: include:
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
mirrors: mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing local_psi: file:///afs/psi.ch/software/spack/testing
modules: modules:

4
env/rhel7/x86_64/admin/unstable/spack.yaml vendored
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@ -21,8 +21,8 @@ spack:
- oneapi_2024.1.0_openmpi: - oneapi_2024.1.0_openmpi:
- gromacs@2024.1/pi5t2pp # ~cuda - gromacs@2024.1/pi5t2pp # ~cuda
include: include:
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
mirrors: mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing local_psi: file:///afs/psi.ch/software/spack/testing
modules: modules:

16
env/rhel7/x86_64/sysconfigs/compilers.yaml vendored
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@ -15,10 +15,10 @@ compilers:
- compiler: - compiler:
spec: gcc@=12.3.0 spec: gcc@=12.3.0
paths: paths:
cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gcc cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gcc
cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/g++ cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/g++
f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran
fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran
flags: {} flags: {}
operating_system: rhel7 operating_system: rhel7
target: x86_64 target: x86_64
@ -28,10 +28,10 @@ compilers:
- compiler: - compiler:
spec: oneapi@=2024.1.0 spec: oneapi@=2024.1.0
paths: paths:
cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icx cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icx
cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icpx cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icpx
f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx
fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx
flags: {} flags: {}
operating_system: rhel7 operating_system: rhel7
target: x86_64 target: x86_64

6
env/rhel7/x86_64/users/stable/spack.yaml vendored
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@ -2,10 +2,10 @@ spack:
concretizer: concretizer:
unify: false unify: false
include: include:
- $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml
include_concrete: include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/stable - /afs/psi.ch/sys/spack/system/spack-psi/env/rhel7/x86_64/admin/stable
specs: [] specs: []
upstreams: upstreams:
stable: stable:

8
env/rhel7/x86_64/users/unstable/spack.yaml vendored
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@ -2,11 +2,11 @@ spack:
concretizer: concretizer:
unify: false unify: false
include: include:
- $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml
include_concrete: include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/stable - /afs/psi.ch/sys/spack/system/spack-psi/env/rhel7/x86_64/admin/stable
- /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/unstable - /afs/psi.ch/sys/spack/system/spack-psi/env/rhel7/x86_64/admin/unstable
specs: [] specs: []
upstreams: upstreams:
stable: stable:

1
env/rhel8/x86_64/admin/stable/spack.lock vendored
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35
env/rhel8/x86_64/admin/stable/spack.yaml vendored
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@ -1,35 +0,0 @@
spack:
concretizer:
unify: false
config:
install_tree:
root: $spack/opt/spack/stable
definitions:
- compilers:
- gcc@=12.3.0
- intel-oneapi-compilers@=2024.1.0
- gcc_4.8.5:
- fpart@1.6.0/lcygtky
- gcc_12.3.0_openmpi:
- opal@master/l4dkgyf
include:
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing
modules:
default:
roots:
tcl: $spack/opt/spack/stable/modulefiles
specs:
- matrix:
- [$compilers]
- ['%gcc@4.8.5']
- matrix:
- [$gcc_4.8.5]
- ['%gcc@4.8.5']
- matrix:
- [$gcc_12.3.0_openmpi]
- [^openmpi%gcc]
- ['%gcc@12.3.0']
view: false

20
env/rhel8/x86_64/admin/testing/spack.yaml vendored
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@ -1,20 +0,0 @@
---
spack:
concretizer:
unify: false
config:
install_tree:
root: $spack/opt/spack/testing
# Strongly adviced to avoid problems with buildcaches
padded_length: 256
include:
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing
modules:
default:
roots:
tcl: $spack/opt/spack/testing/modulefiles
specs: []
view: false

1
env/rhel8/x86_64/admin/unstable/spack.lock vendored
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44
env/rhel8/x86_64/admin/unstable/spack.yaml vendored
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@ -1,44 +0,0 @@
---
spack:
concretizer:
unify: false
config:
install_tree:
root: $spack/opt/spack/unstable
definitions:
- gcc_12.3.0:
- cellranger@8.0.1/6h63gx
- fastqc@0.12.1/dkkcfu5
- ffbidx@main/vyjua6z
- sratoolkit@3.1.1/2szh2jy
- star@2.7.11a/icumpki
- gcc_12.3.0_openmpi:
- cp2k@2024.1/2bayb45 # ~cuda
- cp2k@2024.1/exkrpix # +cuda
- quantum-espresso@7.3.1/yuxkoz2 # hdf5=parallel
- py-alphafold@2.3.2/rrfdppp # ~cuda
- py-alphafold@2.3.2/tqziprv # +cuda
- oneapi_2024.1.0_openmpi:
- gromacs@2024.1/pi5t2pp # ~cuda
include:
- $spack/../spack-psi/env/rhel8/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel8/$target_family/sysconfigs/compilers.yaml
mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing
modules:
default:
roots:
tcl: $spack/opt/spack/unstable/modulefiles
specs:
- matrix:
- [$gcc_12.3.0]
- ['%gcc@12.3.0']
- matrix:
- [$gcc_12.3.0_openmpi]
- [^openmpi%gcc]
- ['%gcc@12.3.0']
- matrix:
- [$oneapi_2024.1.0_openmpi]
- [^openmpi%oneapi]
- ['%oneapi@2024.1.0']
view: false

14
env/rhel8/x86_64/sysconfigs/compilers.yaml vendored
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@ -1,14 +0,0 @@
compilers:
- compiler:
environment: {}
extra_rpaths: []
flags: {}
modules: []
operating_system: rhel8
paths:
cc: /usr/bin/gcc
cxx: /usr/bin/g++
f77: /usr/bin/gfortran
fc: /usr/bin/gfortran
spec: gcc@8.5.0
target: x86_64

224
env/rhel8/x86_64/sysconfigs/packages.yaml vendored
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@ -1,224 +0,0 @@
---
packages:
all:
compiler: [gcc@8.5.0, oneapi, nvhpc]
prefer:
- spec: '^openmpi'
providers:
blas: [openblas, intel-oneapi-mkl, nvhpc]
lapack: [openblas, intel-oneapi-mkl, nvhpc]
mpi: [openmpi, mpich, intel-oneapi-mpi]
pkgconfig: [pkg-config]
require:
- spec: 'target=skylake_avx512'
when: "%nvhpc"
message: "nvhpc compilers cannot target generic x86_64 microarchitecture."
- spec: "os=rhel8"
target: [x86_64]
# Default GPU arch
variants:
- cuda_arch=60
autoconf:
require: '%gcc@8.5.0'
automake:
require: '%gcc@8.5.0'
berkeley-db:
require: '%gcc@8.5.0'
binutils:
require: '%gcc@8.5.0'
boost:
require: '%gcc'
bzip2:
require: '%gcc@8.5.0'
ca-certificates-mozilla:
require: '%gcc@8.5.0'
cairo:
require: '%gcc@8.5.0'
cmake:
require: '%gcc'
coreutils:
require: '%gcc@8.5.0'
cp2k:
require: 'build_system=makefile'
cpio:
require: '%gcc'
ctffind:
require: '%gcc'
# Makes sure the binary works on any sytem (incl. Gwendolen)
cuda:
require: '@12.2:'
curl:
require: '%gcc@8.5.0'
cvs:
require: '%gcc@8.5.0'
diffutils:
require: '%gcc@8.5.0'
doxygen:
require: '%gcc'
expat:
require: '%gcc@8.5.0'
file:
require: '%gcc@8.5.0'
findutils:
require: '%gcc@8.5.0'
flex:
require: '%gcc@8.5.0'
fltk:
require: '%gcc'
fontconfig:
require: '%gcc'
freetype:
require: '%gcc@8.5.0'
gams:
require: '%gcc@8.5.0'
gawk:
require: '%gcc@8.5.0'
gcc:
require: '%gcc@8.5.0'
gdbm:
require: '%gcc@8.5.0'
gettext:
buildable: false
externals:
- prefix: /usr
spec: gettext@0.19.8.1
ghostscript:
require: '%gcc@8.5.0'
git:
require: '%gcc@8.5.0'
glew:
require: '%gcc'
gmake:
require: '%gcc@8.5.0'
groff:
require: '%gcc@8.5.0'
harfbuzz:
require: '%gcc'
hcoll:
require: '%gcc@8.5.0'
icu4c:
require: '@67.1%gcc@12.3.0'
intel-oneapi-compilers:
require: '%gcc@8.5.0'
libbsd:
require: '%gcc@8.5.0'
libcroco:
require: '%gcc@8.5.0'
libepoxy:
require: '%gcc@8.5.0'
libevent:
require: '%gcc@8.5.0'
libfuse:
require: '%gcc@8.5.0'
libice:
require: '%gcc@8.5.0'
libiconv:
require: '%gcc@8.5.0'
libidn2:
require: '%gcc@8.5.0'
libjpeg-turbo:
require: '%gcc@8.5.0'
libmd:
require: '%gcc@8.5.0'
libpciaccess:
require: '%gcc@8.5.0'
libpthread:
require: '%gcc@8.5.0'
libpthread-stubs:
require: '%gcc@8.5.0'
libreadline:
require: '%gcc@8.5.0'
librsvg:
require: '%gcc'
libsigsegv:
require: '%gcc@8.5.0'
libtiff:
require: '%gcc'
libtool:
require: '%gcc@8.5.0'
libx11:
require: '%gcc@8.5.0'
libxcb:
require: '%gcc@8.5.0'
libxext:
require: '%gcc@8.5.0'
libxft:
require: '%gcc'
libxml2:
require: '%gcc@8.5.0'
libxpm:
require: '%gcc@8.5.0'
libxt:
require: '%gcc'
m4:
require: '%gcc@8.5.0'
ncurses:
require: '%gcc@8.5.0'
ninja:
require: '%gcc@8.5.0'
nlohmann-json:
require: '%gcc@8.5.0'
numactl:
require: '%gcc@8.5.0'
nvhpc:
require: '%gcc@8.5.0 install_type=network'
openblas:
require: '%gcc'
openmpi:
require:
- spec: schedulers=slurm fabrics=auto pmi-interface=pmix +cxx +cuda +legacylaunchers
- spec: '+cxx_exceptions'
when: '%gcc'
openssh:
require: '%gcc@8.5.0'
openssl:
require: '%gcc@8.5.0'
pcre2:
require: '%gcc@8.5.0'
perl:
require: '%gcc@8.5.0'
pkg-config:
require: '%gcc@8.5.0'
py-numpy:
require: '%gcc@12.3.0'
python:
require: '%gcc'
readline:
require: '%gcc@8.5.0'
rsync:
require: '%gcc@8.5.0'
ruby:
require: '%gcc@8.5.0'
sed:
require: '%gcc@8.5.0'
slurm:
buildable: false
externals:
- prefix: /usr
spec: slurm@24-05-2-1 +pmix +hwloc +hdf5 +mariadb +pam
sqlite:
require: '%gcc@8.5.0'
subversion:
require: '%gcc@8.5.0'
tar:
require: '%gcc@8.5.0'
texinfo:
require: '%gcc@8.5.0'
unuran:
require: '%gcc@8.5.0'
util-linux-uuid:
require: '%gcc@8.5.0'
util-macros:
require: '%gcc@8.5.0'
valgrind:
require: '%gcc@8.5.0'
xerces-c:
require: '%gcc@8.5.0'
xxhash:
require: '%gcc@8.5.0'
xz:
require: '%gcc@8.5.0'
zlib:
require: '%gcc@8.5.0'
zstd:
require: '%gcc@8.5.0'

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env/rhel8/x86_64/users/stable/spack.yaml vendored
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@ -1,14 +0,0 @@
spack:
concretizer:
unify: false
include:
- $spack/../spack-psi/env/rhel8/x86_64/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel8/x86_64/sysconfigs/compilers.yaml
include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/rhel8/x86_64/admin/stable
specs: []
upstreams:
stable:
install_tree: >-
$spack/opt/spack/stable
view: false

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env/rhel8/x86_64/users/unstable/spack.yaml vendored
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@ -1,16 +0,0 @@
spack:
concretizer:
unify: false
include:
- $spack/../spack-psi/env/rhel8/x86_64/sysconfigs/packages.yaml
- $spack/../spack-psi/env/rhel8/x86_64/sysconfigs/compilers.yaml
include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/rhel8/x86_64/admin/stable
- /afs/psi.ch/sys/spack/spack-psi/env/rhel8/x86_64/admin/unstable
specs: []
upstreams:
stable:
install_tree: $spack/opt/spack/stable
unstable:
install_tree: $spack/opt/spack/unstable
view: false

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env/sles15/aarch64/admin/stable/spack.lock vendored
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env/sles15/aarch64/admin/stable/spack.yaml vendored
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@ -1,25 +0,0 @@
---
spack:
concretizer:
unify: false
config:
install_tree:
root: $spack/opt/spack/stable
definitions:
- gcc_12.3_mpich:
- relion@4.0.1/ve5sish #+cuda
include:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing
modules:
default:
roots:
tcl: $spack/opt/spack/stable/modulefiles
specs:
- matrix:
- [$gcc_12.3_mpich]
- ['%gcc@12.3']
- [^cray-mpich]
view: false

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env/sles15/aarch64/admin/testing/spack.yaml vendored
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@ -1,19 +0,0 @@
spack:
concretizer:
unify: false
config:
install_tree:
root: $spack/opt/spack/testing
# Strongly adviced to avoid problems with buildcaches
padded_length: 256
include:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing
modules:
default:
roots:
tcl: $spack/opt/spack/testing/modulefiles
specs: []
view: false

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env/sles15/aarch64/admin/unstable/spack.lock vendored
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env/sles15/aarch64/admin/unstable/spack.yaml vendored
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@ -1,53 +0,0 @@
spack:
concretizer:
unify: false
config:
install_tree:
root: $spack/opt/spack/unstable
definitions:
- gcc_7.5.0:
- visit@3.3.3/fo37wwb
- gcc_12.3:
- fastqc@0.12.1/eyuqqvf
- ffbidx@main/lfacuhw
- star@2.7.11a/gdgr2ea
- sratoolkit@3.1.1/7oqp6a3
- gcc_12.3_mpich:
- cp2k@2024.1/2jesise #~cuda
- cp2k@2024.1/zqm5fme #+cuda
- quantum-espresso@7.3.1/n6mulig #~cuda
- opal@2024.1.0/mhg3mdx
- py-alphafold@2.3.2/xkw7tfm #+cuda
- gcc_12.3_openmpi:
- gromacs@2024.1/3n7qspb #+cuda
- nvhpc_23.9_openmpi:
- quantum-espresso@7.3.1/le35al7 #+cuda
include:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing
modules:
default:
roots:
tcl: $spack/opt/spack/unstable/modulefiles
specs:
- matrix:
- [$gcc_7.5.0]
- ['%gcc@7.5.0']
- matrix:
- [$gcc_12.3]
- ['%gcc@12.3']
- matrix:
- [$gcc_12.3_mpich]
- ['%gcc@12.3']
- [^cray-mpich]
- matrix:
- [$gcc_12.3_openmpi]
- ['%gcc@12.3']
- [^openmpi]
- matrix:
- [$nvhpc_23.9_openmpi]
- ['%nvhpc@23.9']
- [^openmpi]
view: false

64
env/sles15/aarch64/sysconfigs/compilers.yaml vendored
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@ -1,64 +0,0 @@
compilers:
- compiler:
spec: cce@=17.0.0
paths:
cc: cc
cxx: CC
f77: ftn
fc: ftn
flags: {}
operating_system: sles15
target: aarch64
modules:
- libfabric/1.15.2.0
- PrgEnv-cray/8.5.0
- cce/17.0.0
environment: {}
extra_rpaths: []
- compiler:
spec: gcc@=12.3
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:
- libfabric/1.15.2.0
- PrgEnv-gnu/8.5.0
- gcc-native/12.3
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:
- libfabric/1.15.2.0
environment: {}
extra_rpaths: []
- compiler:
spec: nvhpc@=24.3
paths:
cc: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvc
cxx: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvc++
f77: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvfortran
fc: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/compilers/bin/nvfortran
flags: {}
operating_system: sles15
target: aarch64
modules:
- libfabric/1.15.2.0
- nvhpc-nompi/24.3
environment:
prepend_path:
LD_LIBRARY_PATH: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/math_libs/lib64/stubs
extra_rpaths: []

284
env/sles15/aarch64/sysconfigs/packages.yaml vendored
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@ -1,284 +0,0 @@
packages:
all:
compiler: [gcc@12.3, cce, nvhpc]
providers:
blas: [cray-libsci, openblas, nvhpc]
lapack: [cray-libsci, openblas, nvhpc]
mpi: [cray-mpich, openmpi]
pkgconfig: [pkg-config]
scalapack: [cray-libsci]
require:
- spec: "os=sles15"
- spec: "target=aarch64"
when: "%gcc"
- spec: "target=zen3"
when: "%nvhpc"
# Grace Hopper arch
variants:
- cuda_arch=90
berkeley-db:
require: '%gcc@7.5.0'
boost:
require: '%gcc@7.5.0'
ca-certificates-mozilla:
require: '%gcc@7.5.0'
cairo:
require: '%gcc@7.5.0'
cmake:
require: '%gcc@7.5.0'
coreutils:
require: '%gcc@7.5.0'
cray-libsci:
buildable: false
externals:
- 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
- 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
cray-mpich:
buildable: false
externals:
- modules:
- cray-mpich
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
prefix: /opt/cray/pe/mpich/8.1.28/ofi/gnu/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
cuda:
prefer:
- spec: '@12.2.0'
require: '@12.2.0:'
externals:
- modules:
- nvhpc-nompi/24.3
prefix: /opt/nvidia/hpc_sdk/Linux_aarch64/24.3/cuda
spec: cuda@12.2.0%nvhpc@24.3
curl:
require: '%gcc@7.5.0'
expat:
require: '%gcc@7.5.0'
fftw:
externals:
- modules:
- cray-fftw/3.3.10.6
prefix: /opt/cray/pe/fftw/3.3.10.6/aarch64
spec: fftw@3.3.10.6+mpi+openmp~pfft_patches precision=double,float%gcc@12.3
findutils:
require: '%gcc@7.5.0'
flex:
require: '%gcc@7.5.0'
fltk:
require: '%gcc@7.5.0'
fontconfig:
require: '%gcc@7.5.0'
gawk:
require: '%gcc@7.5.0'
gcc:
require: '%gcc@7.5.0'
gdbm:
require: '%gcc@7.5.0'
gettext:
externals:
- prefix: /usr
spec: 'gettext@0.20.2'
git:
require: '%gcc@7.5.0'
gmake:
require: '%gcc@7.5.0'
groff:
require: '%gcc@7.5.0'
gtkplus:
require: 'default_library=shared,static'
hdf5:
prefer:
- spec: '~mpi'
externals:
- modules:
- cray-hdf5/1.12.2.9
prefix: /opt/cray/pe/hdf5/1.12.2.9/crayclang/17.0
spec: hdf5@1.12.2+cxx+fortran+hl~mpi+shared~szip~threadsafe%cce@17.0.0
- modules:
- cray-parallel-hdf5/1.12.2.9
prefix: /opt/cray/pe/hdf5-parallel/1.12.2.9/crayclang/17.0
spec: hdf5@1.12.2+cxx+fortran+hl+mpi+shared~szip~threadsafe%cce@17.0.0
- modules:
- cray-hdf5/1.12.2.9
prefix: /opt/cray/pe/hdf5/1.12.2.9/gnu/12.3
spec: hdf5@1.12.2+cxx+fortran+hl~mpi+shared~szip~threadsafe%gcc@12.3
- modules:
- cray-parallel-hdf5/1.12.2.9
prefix: /opt/cray/pe/hdf5-parallel/1.12.2.9/gnu/12.3
spec: hdf5@1.12.2+cxx+fortran+hl+mpi+shared~szip~threadsafe%gcc@12.3
libbsd:
require: '%gcc@7.5.0'
libevent:
require: '%gcc@7.5.0'
# Crayism
libfabric:
buildable: false
externals:
- modules:
- libfabric/1.15.2.0
prefix: /opt/cray/libfabric/1.15.2.0
spec: libfabric@1.15.2.0
libiconv:
require: '%gcc@7.5.0'
libidn2:
require: '%gcc@7.5.0'
libmd:
require: '%gcc@7.5.0'
libpciaccess:
require: '%gcc@7.5.0'
libsigsegv:
require: '%gcc@7.5.0'
libtool:
require: '%gcc@7.5.0'
libxml2:
require: '%gcc@7.5.0'
llvm:
require: '%gcc@7.5.0'
m4:
require: '%gcc@7.5.0'
munge:
buildable: false
externals:
- prefix: /usr
spec: munge@0.5.15
ncurses:
require: '%gcc@7.5.0'
netcdf-c:
externals:
- modules:
- cray-netcdf/4.9.0.9
prefix: /opt/cray/pe/netcdf/4.9.0.9/crayclang/17.0
spec: netcdf-c@4.9.0.9~dap~hdf4~jna~mpi~parallel-netcdf+shared%cce@17.0.0
- modules:
- cray-netcdf-hdf5parallel/4.9.0.9
prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.9/crayclang/17.0
spec: netcdf-c@4.9.0.9~dap~hdf4~jna+mpi~parallel-netcdf+shared%cce@17.0.0
- 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
- 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
netcdf-fortran:
externals:
- modules:
- cray-netcdf/4.9.0.9
prefix: /opt/cray/pe/netcdf/4.9.0.9/crayclang/17.0
spec: netcdf-fortran@4.9.0.9~doc+shared%cce@17.0.0
- 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
ninja:
require: '%gcc@7.5.0'
numactl:
require: '%gcc@7.5.0'
nvhpc:
externals:
- modules:
- nvhpc-nompi/24.3
spec: nvhpc@24.3
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:
buildable: false
externals:
- prefix: /usr
spec: openldap@2.4.46
openmpi:
require:
- spec: 'schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cxx_exceptions +cuda +legacylaunchers'
when: '%gcc'
- spec: 'schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cuda +legacylaunchers'
when: '%nvhpc'
openssh:
require: '%gcc@7.5.0'
openssl:
require: '%gcc@7.5.0'
parallel-netcdf:
externals:
- modules:
- cray-parallel-netcdf/1.12.3.9
prefix: /opt/cray/pe/parallel-netcdf/1.12.3.9/crayclang/17.0
spec: parallel-netcdf@1.12.3.9+cxx+fortran%cce@17.0.0
- 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
perl:
buildable: false
externals:
- prefix: /usr
spec: perl@5.26.1
pkg-config:
require: '%gcc@7.5.0'
pkgconf:
require: '%gcc@7.5.0'
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:
require: '%gcc@7.5.0'
slurm:
buildable: false
externals:
- prefix: /usr
spec: slurm@24.05.3%gcc@7.5.0 +cgroup+gtk+hwloc+mariadb+nvml+pam+pmix+restd
sqlite:
require: '%gcc@7.5.0'
tar:
require: '%gcc@7.5.0'
texinfo:
require: '%gcc@7.5.0'
unuran:
require: '%gcc@7.5.0'
util-linux-uuid:
require: '%gcc@7.5.0'
util-macros:
require: '%gcc@7.5.0'
xpmem:
buildable: false
externals:
- modules:
- xpmem/2.9.6-1.1_20240511212657__g087dc11fc19d
spec: xpmem@2.9.6-1.1
xxhash:
require: '%gcc@7.5.0'
xz:
externals:
- prefix: /usr
spec: xz@5.2.3
zlib:
require: '%gcc@7.5.0'
zstd:
require: '%gcc@7.5.0'

13
env/sles15/aarch64/users/stable/spack.yaml vendored
View File

@ -1,13 +0,0 @@
spack:
concretizer:
unify: false
include:
- $spack/../spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml
- $spack/../spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml
include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable
specs: []
upstreams:
stable:
install_tree: $spack/opt/spack/stable
view: false

16
env/sles15/aarch64/users/unstable/spack.yaml vendored
View File

@ -1,16 +0,0 @@
spack:
concretizer:
unify: false
include:
- $spack/../spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml
- $spack/../spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml
include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable
- /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/unstable
specs: []
upstreams:
stable:
install_tree: $spack/opt/spack/stable
unstable:
install_tree: $spack/opt/spack/unstable
view: false

4
env/sles15/x86_64/admin/stable/spack.yaml vendored
View File

@ -11,8 +11,8 @@ spack:
- gcc_12.3_mpich: - gcc_12.3_mpich:
- relion@4.0.1/ve5sish #+cuda - relion@4.0.1/ve5sish #+cuda
include: include:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
mirrors: mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing local_psi: file:///afs/psi.ch/software/spack/testing
modules: modules:

4
env/sles15/x86_64/admin/testing/spack.yaml vendored
View File

@ -7,8 +7,8 @@ spack:
# Strongly adviced to avoid problems with buildcaches # Strongly adviced to avoid problems with buildcaches
padded_length: 256 padded_length: 256
include: include:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
mirrors: mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing local_psi: file:///afs/psi.ch/software/spack/testing
modules: modules:

2
env/sles15/x86_64/admin/unstable/spack.lock vendored
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File diff suppressed because one or more lines are too long

9
env/sles15/x86_64/admin/unstable/spack.yaml vendored
View File

@ -20,13 +20,11 @@ spack:
- py-alphafold@2.3.2/xkw7tfm #+cuda - py-alphafold@2.3.2/xkw7tfm #+cuda
- gcc_12.3_openmpi: - gcc_12.3_openmpi:
- gromacs@2024.1/3n7qspb #+cuda - gromacs@2024.1/3n7qspb #+cuda
- intel_2021.6.0:
- openmpi@4.1.6/eqhrgv5
- nvhpc_23.9_openmpi: - nvhpc_23.9_openmpi:
- quantum-espresso@7.3.1/le35al7 #+cuda - quantum-espresso@7.3.1/le35al7 #+cuda
include: include:
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
mirrors: mirrors:
local_psi: file:///afs/psi.ch/software/spack/testing local_psi: file:///afs/psi.ch/software/spack/testing
modules: modules:
@ -48,9 +46,6 @@ spack:
- [$gcc_12.3_openmpi] - [$gcc_12.3_openmpi]
- ['%gcc@12.3'] - ['%gcc@12.3']
- [^openmpi] - [^openmpi]
- matrix:
- [$intel_2021.6.0]
- ['%intel@2021.6.0']
- matrix: - matrix:
- [$nvhpc_23.9_openmpi] - [$nvhpc_23.9_openmpi]
- ['%nvhpc@23.9'] - ['%nvhpc@23.9']

28
env/sles15/x86_64/sysconfigs/compilers.yaml vendored
View File

@ -62,31 +62,3 @@ compilers:
prepend_path: prepend_path:
LD_LIBRARY_PATH: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/math_libs/lib64/stubs LD_LIBRARY_PATH: /opt/nvidia/hpc_sdk/Linux_x86_64/23.9/math_libs/lib64/stubs
extra_rpaths: [] extra_rpaths: []
- 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-jjfubnqeg5udrhlho6owzlpi6odqsey5/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-jjfubnqeg5udrhlho6owzlpi6odqsey5/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-jjfubnqeg5udrhlho6owzlpi6odqsey5/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-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/ifort
flags: {}
operating_system: sles15
target: x86_64
modules:
- libfabric/1.15.2.0
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-jjfubnqeg5udrhlho6owzlpi6odqsey5/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-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/icpx
f77: null
fc: null
flags: {}
operating_system: sles15
target: x86_64
modules:
- libfabric/1.15.2.0
environment: {}
extra_rpaths: []

7
env/sles15/x86_64/sysconfigs/packages.yaml vendored
View File

@ -16,10 +16,6 @@ packages:
# Grace Hopper arch # Grace Hopper arch
variants: variants:
- cuda_arch=80 - cuda_arch=80
autoconf:
require: '%gcc@7.5.0'
automake:
require: '%gcc@7.5.0'
berkeley-db: berkeley-db:
require: '%gcc@7.5.0' require: '%gcc@7.5.0'
boost: boost:
@ -218,8 +214,7 @@ packages:
- spec: 'schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cxx_exceptions +cuda +legacylaunchers' - spec: 'schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cxx_exceptions +cuda +legacylaunchers'
when: '%gcc' when: '%gcc'
- spec: 'schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cuda +legacylaunchers' - spec: 'schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cuda +legacylaunchers'
when: 'nvhpc' when: '%nvhpc'
- spec: 'schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +legacylaunchers'
openssh: openssh:
require: '%gcc@7.5.0' require: '%gcc@7.5.0'
openssl: openssl:

6
env/sles15/x86_64/users/stable/spack.yaml vendored
View File

@ -2,10 +2,10 @@ spack:
concretizer: concretizer:
unify: false unify: false
include: include:
- $spack/../spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml - $spack/spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml
- $spack/../spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml - $spack/spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml
include_concrete: include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/stable - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/stable
specs: [] specs: []
upstreams: upstreams:
stable: stable:

8
env/sles15/x86_64/users/unstable/spack.yaml vendored
View File

@ -2,11 +2,11 @@ spack:
concretizer: concretizer:
unify: false unify: false
include: include:
- $spack/../spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml - $spack/spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml
- $spack/../spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml - $spack/spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml
include_concrete: include_concrete:
- /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/stable - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/stable
- /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/unstable - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/unstable
specs: [] specs: []
upstreams: upstreams:
stable: stable:

22
packages/cmatrix/package.py Normal file
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@ -0,0 +1,22 @@
# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: MIT
from spack.package import *
class Cmatrix(AutotoolsPackage):
"""Terminal based "The Matrix" like implementation"""
homepage = "https://github.com/abishekvashok/cmatrix"
url = "https://github.com/abishekvashok/cmatrix/archive/refs/tags/v2.0.tar.gz"
maintainers("hv15")
license("GPL-3.0-only", checked_by="hv15")
version("2.0", sha256="ad93ba39acd383696ab6a9ebbed1259ecf2d3cf9f49d6b97038c66f80749e99a")
depends_on("autoconf", type="build")
depends_on("automake", type="build")
depends_on("libtool", type="build")
depends_on("ncurses", type="build")
depends_on("kbd", type="run")

13
packages/gams/package.py
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@ -1,13 +0,0 @@
# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
import os
from spack.package import *
from spack.pkg.builtin.gams import Gams as SpackGams
class Gams(SpackGams):
version("48.1", md5="5a59a973edfc4e3170b9535760593d62", expand=False)

66
packages/h5hut/package.py
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@ -5,71 +5,9 @@
from spack.package import * from spack.package import *
from spack.pkg.builtin.h5hut import H5hut as SpackH5hut
class H5hut(AutotoolsPackage): class H5hut(SpackH5hut):
"""H5hut (HDF5 Utility Toolkit).
High-Performance I/O Library for Particle-based Simulations."""
homepage = "https://amas.psi.ch/H5hut/"
url = "https://amas.web.psi.ch/Downloads/H5hut/H5hut-2.0.0rc3.tar.gz"
git = "https://gitlab.psi.ch/H5hut/src.git"
version("2.0.0rc7", sha256="bc058c4817c356b7b7acfe386c586923103b90bdfa83575db3a91754767e6fab")
version("2.0.0rc6", sha256="980a5c634877265bd3a862fbd439d973d44be9c1d2f840c3635e8c6375d62d7e") version("2.0.0rc6", sha256="980a5c634877265bd3a862fbd439d973d44be9c1d2f840c3635e8c6375d62d7e")
version("2.0.0rc3", sha256="1ca9a9478a99e1811ecbca3c02cc49258050d339ffb1a170006eab4ab2a01790")
version("master", branch="master")
variant("fortran", default=True, description="Enable Fortran support")
variant("mpi", default=True, description="Enable MPI support")
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")
depends_on("mpi", when="+mpi")
# h5hut +mpi uses the obsolete function H5Pset_fapl_mpiposix:
depends_on("hdf5@1.8:+mpi", when="+mpi")
depends_on("hdf5@1.8:", when="~mpi")
# If built in parallel, the following error message occurs:
# install: .libs/libH5hut.a: No such file or directory
parallel = False
@run_before("configure")
def validate(self):
"""Checks if Fortran compiler is available."""
if "+fortran" in self.spec and not self.compiler.fc:
raise RuntimeError("Cannot build Fortran variant without a Fortran compiler.")
def flag_handler(self, name, flags):
build_system_flags = []
if name == "cflags" and self.spec.version < Version("2.0.0rc7"):
build_system_flags = ["-DH5_USE_110_API"]
return flags, None, build_system_flags
def autoreconf(self, spec, prefix):
which("bash")("autogen.sh")
def configure_args(self):
spec = self.spec
config_args = ["--enable-shared"]
if "+fortran" in spec:
config_args.append("--enable-fortran")
if "+mpi" in spec:
config_args.extend(
[
"--enable-parallel",
"CC={0}".format(spec["mpi"].mpicc),
"CXX={0}".format(spec["mpi"].mpicxx),
]
)
if "+fortran" in spec:
config_args.append("FC={0}".format(spec["mpi"].mpifc))
return config_args

99
packages/ippl/package.py
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@ -1,99 +0,0 @@
# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
# ----------------------------------------------------------------------------
# If you submit this package back to Spack as a pull request,
# please first remove this boilerplate and all FIXME comments.
#
# This is a template package file for Spack. We've put "FIXME"
# next to all the things you'll want to change. Once you've handled
# them, you can save this file and test your package like this:
#
# spack install ippl
#
# You can edit this file again by typing:
#
# spack edit ippl
#
# See the Spack documentation for more information on packaging.
# ----------------------------------------------------------------------------
from spack.package import *
class Ippl(CMakePackage, CudaPackage):
"""Independent Parallel Particle Layer (IPPL) is a performance portable C++ library for Particle-Mesh methods. IPPL makes use of Kokkos (https://github.com/kokkos/kokkos), HeFFTe (https://github.com/icl-utk-edu/heffte), and MPI (Message Passing Interface) to deliver a portable, massively parallel toolkit for particle-mesh methods. IPPL supports simulations in one to six dimensions, mixed precision, and asynchronous execution in different execution spaces (e.g. CPUs and GPUs)."""
homepage = "https://github.com/IPPL-framework/ippl"
url = "https://github.com/IPPL-framework/ippl/archive/refs/tags/IPPL-3.2.0.tar.gz"
git="https://github.com/IPPL-framework/ippl.git"
maintainers("germanne", "gsell")
license("GPLv3")
version("3.2.0", sha256="041a4efbddaba5b477dae01ab166354da7dee01cf625706e19f5b60c0c3f6b88")
version('opalx-fielddump', branch="opalx-fielddump")
variant(
"build_type",
default="Release",
description="CMake build type",
values=("Debug", "Release", "RelWithDebInfo", "MinSizeRel"),
)
variant("mpi", default=True, description="Enable MPI support")
variant(
"platforms",
default=True,
description="Set IPPL platforms",
values=("serial", "openmp", "cuda", "openmp/cuda")
)
variant("solvers", default=True, description="Enable solvers")
variant("fft", default=True, description="Enable full-wave solver")
variant("tests", default=False, description="Enable tests")
variant("unit_tests", default=False, description="Enable unit tests")
variant("alternative_variant", default=False, description="Use alternative variant")
variant("alpine", default=False, description="Enable Alpine")
depends_on("cmake@3.25.2:", type="build")
depends_on("fftw@3.3.10", when="+fft")
depends_on("mpi", when="+mpi")
conflicts("~mpi", msg="IPPL can not run without mpi!")
conflicts("cuda_arch=none", when="+cuda",
msg="CUDA architecture is required")
conflicts("~cuda", when="platform=cuda",
msg="CUDA is required for platform cuda.")
def cmake_args(self):
args = [
"-DCMAKE_CXX_STANDARD=20",
self.define_from_variant("ENABLE_FFT", "fft"),
self.define_from_variant("ENABLE_SOLVERS", "solvers"),
self.define_from_variant("ENABLE_TESTS", "tests"),
self.define_from_variant("ENABLE_UNIT_TESTS", "unit_tests"),
self.define_from_variant("USE_ALTERNATIVE_VARIANT", "alternative_variant"),
self.define_from_variant("ENABLE_ALPINE", "alpine"),
]
if 'platforms=cuda' in self.spec:
args.append("-DIPPL_PLATFORMS=CUDA")
elif 'platforms=openmp' in self.spec:
args.append("-DIPPL_PLATFORMS=OPENMP")
elif 'platforms=openmp/cuda' in self.spec:
args.append("-DIPPL_PLATFORMS=OPENMP;CUDA")
else:
args.append("-DIPPL_PLATFORMS=SERIAL")
if 'cuda_arch=90' in self.spec:
args.append("-DKokkos_ARCH_HOPPER90=ON")
elif 'cuda_arch=80' in self.spec:
args.append("-DKokkos_ARCH_AMPERE80=ON")
elif 'cuda_arch=60' in self.spec:
args.append("-DKokkos_ARCH_PASCAL61=ON")
return args

33
packages/kbd/package.py Normal file
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# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: MIT
from spack.package import *
class Kbd(AutotoolsPackage):
"""
This package contains tools for managing Linux console (Linux console,
virtual terminals, keyboard, etc.) – mainly, what they do is loading
console fonts and keyboard maps.
"""
homepage = "https://kbd-project.org/"
url = "https://github.com/legionus/kbd/archive/refs/tags/v2.6.4.tar.gz"
maintainers("hv15")
license(" GPL-2.0-or-later", checked_by="hv15")
version("2.6.4", sha256="f5c7be3fd5365bd5150a3293cff58f836acc2b5914515c1ca91540a7f9be50f7")
version("2.6.3", sha256="f562c986e7c05677708e1f335d5c8705ebe84fdcd95b08a459bc0fe2d9d5cd39")
version("2.6.2", sha256="4aae5e83c4395c38e1fc35f4f70604db17cdf6e01da9b28ece89a9289e56d590")
version("2.6.1", sha256="51f4fad0651812a77aa8fac4774357ef4c3ff976d3ba66988d772f5c32b21549")
version("2.6.0", sha256="eb8fcab00207d01f4f76e14c97fa2796724f00571f68ccef48200939fb382d21")
version("2.6-rc1", sha256="0ef75a08e79141fb0a5b16a44bae0d3fc518a0835d1e211637021a3f81dffbaa")
version("2.5.1", sha256="80513bfc54dceb31b06648ab38ca8447305b92cc0c6b9c05abb1d275af8581a8")
version("2.5.0", sha256="20f0698ba7be12b41ba0d4e61e33d031244dc322e8e77bb924adb81429e85710")
version("2.5-rc1", sha256="290c6681a751a3bba4f0ce857e9d98457fed1c948cc3e788300b1463197367d1")
version("2.4.0", sha256="8ebb8ba274983dd446d5d66412b6224a3a4fafe1195d3be7855d6247b4819fd9")
depends_on("autoconf", type="build")
depends_on("automake", type="build")
depends_on("libtool", type="build")

37
packages/mfem/mfem_conduit_spack.patch
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@ -1,37 +0,0 @@
diff --git a/config/defaults.mk b/config/defaults.mk
index d6b8d59a1..d1ba6fb9a 100644
--- a/config/defaults.mk
+++ b/config/defaults.mk
@@ -452,7 +452,7 @@ FMS_LIB = -Wl,-rpath,$(FMS_DIR)/lib -L$(FMS_DIR)/lib -lfms
# Conduit and required libraries configuration
CONDUIT_DIR = @MFEM_DIR@/../conduit
-CONDUIT_OPT = -I$(CONDUIT_DIR)/include/conduit
+CONDUIT_OPT = -I$(CONDUIT_DIR)/include
CONDUIT_LIB = \
$(XLINKER)-rpath,$(CONDUIT_DIR)/lib -L$(CONDUIT_DIR)/lib \
-lconduit -lconduit_relay -lconduit_blueprint -ldl
@@ -469,8 +469,8 @@ endif
# Sidre and required libraries configuration
# Be sure to check the HDF5_DIR (set above) is correct
SIDRE_DIR = @MFEM_DIR@/../axom
-SIDRE_OPT = -I$(SIDRE_DIR)/include -I$(CONDUIT_DIR)/include/conduit\
- -I$(HDF5_DIR)/include
+SIDRE_OPT = -I$(SIDRE_DIR)/include -I$(CONDUIT_DIR)/include/conduit \
+ -I$(CONDUIT_DIR)/include -I$(HDF5_DIR)/include
SIDRE_LIB = \
$(XLINKER)-rpath,$(SIDRE_DIR)/lib -L$(SIDRE_DIR)/lib \
$(XLINKER)-rpath,$(CONDUIT_DIR)/lib -L$(CONDUIT_DIR)/lib \
diff --git a/fem/conduitdatacollection.hpp b/fem/conduitdatacollection.hpp
index 6ff1804e0..ad0a272a4 100644
--- a/fem/conduitdatacollection.hpp
+++ b/fem/conduitdatacollection.hpp
@@ -17,7 +17,7 @@
#ifdef MFEM_USE_CONDUIT
#include "datacollection.hpp"
-#include <conduit.hpp>
+#include <conduit/conduit.hpp>
namespace mfem
{

13
packages/mfem/pachage.py
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@ -1,13 +0,0 @@
# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack.package import *
from spack.pkg.builtin.mfem import Mfem as SpackMfem
class Mfem(SpackMfem):
patch(mfem_conduit_spack.patch)

112
packages/opal-x/package.py
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@ -1,112 +0,0 @@
# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
# ----------------------------------------------------------------------------
# If you submit this package back to Spack as a pull request,
# please first remove this boilerplate and all FIXME comments.
#
# This is a template package file for Spack. We've put "FIXME"
# next to all the things you'll want to change. Once you've handled
# them, you can save this file and test your package like this:
#
# spack install opal-x
#
# You can edit this file again by typing:
#
# spack edit opal-x
#
# See the Spack documentation for more information on packaging.
# ----------------------------------------------------------------------------
from spack.package import *
class OpalX(CMakePackage, CudaPackage):
"""OPAL (Object Oriented Parallel Accelerator Library) is a parallel open source tool for charged-particle optics in linear accelerators and rings,
including 3D space charge. Using the MAD language with extensions, OPAL can run on a laptop as well as on the largest high performance computing systems.
OPAL is built from the ground up as a parallel application exemplifying the fact that high performance computing is the third leg of science,
complementing theory and experiment."""
homepage = "https://amas.web.psi.ch/opal/Documentation/master/OPAL_Manual.html"
git = "https://gitlab.psi.ch/OPAL/opal-x/src.git"
maintainers("germanne", "gsell")
license("GPLv3")
version('master', branch="master")
version('fixSolverUnits', branch="fixSolverUnits")
variant(
"build_type",
default="Release",
description="CMake build type",
values=("Debug", "Release", "RelWithDebInfo", "MinSizeRel"),
)
variant("mpi", default=True, description="Enable MPI support")
variant("solvers", default=True, description="Enable solvers")
variant("fft", default=True, description="Enable full-wave solver")
variant("tests", default=False, description="Enable tests")
variant("alternative_variant", default=False, description="Use alternative variant")
variant("alpine", default=False, description="Enable Alpine")
variant("unit_tests", default=False, description="Build unit tests")
variant("ippl_git_tag", default="master", description="IPPL git tag")
depends_on("blas")
depends_on("boost@1.82.0+mpi+chrono+filesystem+iostreams+regex+serialization+system+timer+python+shared")
depends_on("cmake@3.25.2:", type="build")
depends_on("fftw@3.3.10 +mpi")
depends_on("gsl@2.7+shared")
depends_on("gnutls@3.5.19:")
depends_on("cuda@12.4.0:")
depends_on("h5hut+mpi", when="+mpi")
depends_on("googletest@1.13.0: +shared", when="+tests")
# @master
depends_on("h5hut@2.0.0rc6:", when="@master")
# @2022.1%gcc@10.4.0
depends_on("h5hut@2.0.0rc6", when="@2022.1")
conflicts("~mpi", msg="OPAL can not run without mpi!")
conflicts("cuda_arch=none", when="+cuda",
msg="CUDA architecture is required")
conflicts("%gcc@:8.5.0", msg="gcc bigger than 8.5.0 is required")
@run_before("cmake")
def cmake_configure(self):
spec = self.spec
cmake_configure = Executable("./gen_OPALrevision")
cmake_configure()
def cmake_args(self):
args = [
"-DCMAKE_CXX_STANDARD=20",
self.define_from_variant("ENABLE_FFT", "fft"),
self.define_from_variant("ENABLE_SOLVERS", "solvers"),
self.define_from_variant("ENABLE_TESTS", "tests"),
self.define_from_variant("USE_ALTERNATIVE_VARIANT", "alternative_variant"),
self.define_from_variant("ENABLE_ALPINE", "alpine"),
self.define_from_variant("ENABLE_UNIT_TESTS", "unit_tests"),
"-DIPPL_GIT_TAG=opalx-fielddump",
"-DKokkos_ENABLE_IMPL_CUDA_MALLOC_ASYNC=OFF",
]
if '+cuda' in self.spec:
args.append("-DIPPL_PLATFORMS=CUDA")
else:
args.append("-DIPPL_PLATFORMS=openmp")
if 'cuda_arch=90' in self.spec:
args.append("-DKokkos_ARCH_HOPPER90=ON")
elif 'cuda_arch=80' in self.spec:
args.append("-DKokkos_ARCH_AMPERE80=ON")
elif 'cuda_arch=60' in self.spec:
args.append("-DKokkos_ARCH_PASCAL61=ON")
return args