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MPSD Computational Science
spack-environments
Commits
cc8a5483
Commit
cc8a5483
authored
2 months ago
by
Martin Lang
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Delete cuda toolchain with old gcc
parent
08664faa
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!136
changes for bookworm transition
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toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/compiler_vars.sh
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toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/spack.yaml.jinja
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toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/compiler_vars.sh
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toolchain_compiler_package
=
"gcc@11.5.0"
export
TOOLCHAIN_COMPILER
=
$toolchain_compiler_package
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toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-12_2/spack.yaml.jinja
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spack:
definitions:
- compilers:
- "{{ toolchain_compiler }}"
- mpis:
- openmpi@4.1.4+cuda cuda_arch=70 fabrics=ucx schedulers=slurm ^slurm@22-05-8-1+pmix^ucx@1.13.1+cma+cuda+dc+dm+gdrcopy+ib_hw_tm+knem+mlx5_dv+rc+rdmacm+thread_multiple+ud+verbs~vfs~xpmem
^cuda@12.2.2+allow-unsupported-compilers
- packages:
- binutils@2.38+headers+ld
- openblas@0.3.20
# autotools 20210128 not in spack; manually
- autoconf@2.71
- libtool@2.4.7
- automake@1.16.5
- cmake@3.26.6
- ninja@1.11.1
# octopus dependencies:
- libxc@5.2.3+kxc
- spglib@2.1.0
- gsl@2.7.1
- sparskit@develop
- nlopt@2.7.0
- libgd@2.2.4
- nfft@3.2.4
- python@3.9.5
- cgal@5.0.3
- dftbplus@21.2~arpack~gpu~mpi~sockets~transport+api+shared~openmp # non gpu and non openmp variant based on the easybuild configuration (octopus does not use gpu variant) non mpi based on Franco's suggestion
- libpspio@0.4.1+fortran
- packages_with_mpi:
- fftw@3.3.10+openmp+mpi+pfft_patches
- netlib-scalapack@2.1.0
# octopus dependencies:
- elpa@2021.11.001+cuda cuda_arch=70 ^cuda@12.2.2+allow-unsupported-compilers # elpa@2020.05.001
- libvdwxc@0.4.0+mpi+pfft
- berkeleygw@3.0.1+mpi
- parmetis@4.0.3+int64
- pfft@1.0.8-alpha
- pnfft@1.0.7-alpha
- hdf5@1.12.2+mpi
- netcdf-fortran@4.6.0 ^netcdf-c+mpi
- bigdft-futile@1.9.2+shared+mpi
- bigdft-psolver@1.9.2+shared+mpi~cuda # octopus does not use cuda variant
- etsf-io@1.0.4
specs:
- matrix:
- [$mpis]
- [$%compilers]
- matrix:
- [$packages]
- [$%compilers]
- matrix:
- [$packages_with_mpi]
- [$^mpis]
- [$%compilers]
view: true
concretizer:
reuse: false
unify: true
packages:
all:
require: "%{{ toolchain_compiler }}"
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