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FIX: move spack-psi bye one folder

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This commit is contained in:
germann_e
2024-10-17 15:33:40 +02:00
parent 27a597eda1
commit 16f4f1a137
19 changed files with 67 additions and 56 deletions
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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/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gcc 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
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++ 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++
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 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
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 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
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/system/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/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
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 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
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 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
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 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
flags: {} flags: {}
operating_system: rhel7 operating_system: rhel7
target: x86_64 target: x86_64

4
env/rhel7/x86_64/sysconfigs/packages.yaml vendored
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@ -69,8 +69,6 @@ packages:
require: '%gcc' require: '%gcc'
freetype: freetype:
require: '%gcc@4.8.5' require: '%gcc@4.8.5'
gams:
require: '%gcc@4.8.5'
gawk: gawk:
require: '%gcc@4.8.5' require: '%gcc@4.8.5'
gcc: gcc:
@ -147,7 +145,7 @@ packages:
libxml2: libxml2:
require: '%gcc@4.8.5' require: '%gcc@4.8.5'
libxpm: libxpm:
require: '%gcc@4.8.5' require: '%gcc'
libxt: libxt:
require: '%gcc' require: '%gcc'
m4: m4:

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/system/spack-psi/env/rhel7/x86_64/admin/stable - /afs/psi.ch/sys/spack/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/system/spack-psi/env/rhel7/x86_64/admin/stable - /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/unstable - /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/unstable
specs: [] specs: []
upstreams: upstreams:
stable: stable:

4
env/sles15/aarch64/admin/stable/spack.yaml vendored
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@ -9,8 +9,8 @@ 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/aarch64/admin/testing/spack.yaml vendored
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@ -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:

4
env/sles15/aarch64/admin/unstable/spack.yaml vendored
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@ -23,8 +23,8 @@ spack:
- 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:

6
env/sles15/aarch64/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/sles15/aarch64/sysconfigs/packages.yaml - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml
- $spack/spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml
include_concrete: include_concrete:
- /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/aarch64/admin/stable - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable
specs: [] specs: []
upstreams: upstreams:
stable: stable:

8
env/sles15/aarch64/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/sles15/aarch64/sysconfigs/packages.yaml - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml
- $spack/spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml
include_concrete: include_concrete:
- /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/aarch64/admin/stable - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable
- /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/aarch64/admin/unstable - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/unstable
specs: [] specs: []
upstreams: upstreams:
stable: stable:

4
env/sles15/x86_64/admin/stable/spack.yaml vendored
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@ -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
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@ -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:

4
env/sles15/x86_64/admin/unstable/spack.yaml vendored
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@ -25,8 +25,8 @@ spack:
- 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:

12
env/sles15/x86_64/sysconfigs/compilers.yaml vendored
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@ -65,10 +65,10 @@ compilers:
- compiler: - compiler:
spec: intel@=2021.6.0 spec: intel@=2021.6.0
paths: paths:
cc: /afs/psi.ch/sys/spack/system/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 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/system/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 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/system/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 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/system/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: {} flags: {}
operating_system: sles15 operating_system: sles15
target: x86_64 target: x86_64
@ -79,8 +79,8 @@ compilers:
- compiler: - compiler:
spec: oneapi@=2022.1.0 spec: oneapi@=2022.1.0
paths: paths:
cc: /afs/psi.ch/sys/spack/system/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 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/system/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 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 f77: null
fc: null fc: null
flags: {} flags: {}

6
env/sles15/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/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/system/spack-psi/env/sles15/x86_64/admin/stable - /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/stable
specs: [] specs: []
upstreams: upstreams:
stable: stable:

8
env/sles15/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/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/system/spack-psi/env/sles15/x86_64/admin/stable - /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/unstable - /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/unstable
specs: [] specs: []
upstreams: upstreams:
stable: stable:

13
packages/gams/package.py Normal file
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@ -0,0 +1,13 @@
# 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)