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Commit 523a4a89 authored by Martin Lang's avatar Martin Lang
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Split mpi and non-mpi in remaining toolchains

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toolchains/foss2022a-mpi/spack.yaml
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......@@ -12,7 +12,7 @@ spack:
- libtool@2.4.7
- automake@1.16.5
- cmake@3.26.3
# octopus-dependencies:
# octopus dependencies:
- libxc@5.2.3+kxc
- gsl@2.7.1
- sparskit@develop
......
toolchains/foss2022a-serial/spack.yaml
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− 1
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......@@ -11,7 +11,7 @@ spack:
- libtool@2.4.7
- automake@1.16.5
- cmake@3.26.3
# octopus-dependencies:
# octopus dependencies:
- libxc@5.2.3+kxc
- gsl@2.7.1
- sparskit@develop
......
toolchains/foss2022b-mpi/spack.yaml
+ 1
− 1
View file @ 523a4a89
......@@ -12,7 +12,7 @@ spack:
- libtool@2.4.7
- automake@1.16.5
- cmake@3.26.3
# octopus-dependencies:
# octopus dependencies:
- libxc@5.2.3+kxc
- gsl@2.7
- sparskit@develop
......
toolchains/foss2022b-serial/spack.yaml
+ 1
− 1
View file @ 523a4a89
......@@ -11,7 +11,7 @@ spack:
- libtool@2.4.7
- automake@1.16.5
- cmake@3.26.3
# octopus-dependencies:
# octopus dependencies:
- libxc@5.2.3+kxc
- gsl@2.7
- sparskit@develop
......
toolchains/foss2023a-mpi/spack.yaml
+ 24
− 17
View file @ 523a4a89
......@@ -6,42 +6,49 @@ spack:
- openmpi@4.1.5~cuda fabrics=ucx schedulers=slurm ^slurm@20-11-4-1+pmix^ucx@1.13.1+cma~cuda+dc+dm~gdrcopy+ib_hw_tm+knem+mlx5_dv+rc+rdmacm+thread_multiple+ud+verbs+vfs~xpmem
- packages:
- binutils@2.40+headers+ld
- netlib-scalapack@2.2.0
- fftw@3.3.10+openmp+mpi+pfft_patches
- openblas@0.3.23
- autoconf@2.71 # autotools 20210128 not in spack; manually
- libtool@2.4.6
- automake@1.16.3
# autotools 20210128 not in spack; manually
- autoconf@2.71
- libtool@2.4.7
- automake@1.16.5
- cmake@3.26.3
- libxc@5.2.3+kxc # octopus-dependencies:
# octopus dependencies:
- libxc@5.2.3+kxc
- gsl@2.7
- sparskit@develop # 2021.06.01
- elpa@2021.11.001 # elpa@2020.05.001
- sparskit@develop
- nlopt@2.7.0
- libgd@2.2.4 # 2.3.1
- libvdwxc@0.4.0+mpi+pfft
- libgd@2.2.4
- nfft@3.2.4
- berkeleygw@2.1+mpi
- python@3.9.5
- cgal@5.0.3
- dftbplus@21.2~arpack~gpu~mpi~sockets~transport+api+shared~openmp
- libpspio@0.3.0
# required for the buildbot
- perl-yaml@1.27
- packages_with_mpi:
- netlib-scalapack@2.2.0
- fftw@3.3.10+openmp+mpi+pfft_patches
# octopus dependencies:
- elpa@2021.11.001
- libvdwxc@0.4.0+mpi+pfft
- berkeleygw@2.1+mpi
- parmetis@4.0.3+int64
- pfft@1.0.8-alpha
- pnfft@1.0.7-alpha
- cgal@5.0.3 # 5.2
- hdf5@1.12.2+mpi
- netcdf-fortran@4.6.0 ^netcdf-c+mpi
- etsf-io@1.0.4
- bigdft-futile@1.9.2+mpi
- bigdft-psolver@1.9.2+mpi
- dftbplus@21.2~arpack~gpu~mpi~sockets~transport+api+shared~openmp
- libpspio@0.3.0
# required for the buildbot
- perl-yaml@1.27
- etsf-io@1.0.4
specs:
- matrix:
- [$mpis]
- [$%compilers]
- matrix:
- [$packages]
- [$%compilers]
- matrix:
- [$packages_with_mpi]
- [$^mpis]
- [$%compilers]
view: true
......
toolchains/foss2023a-serial/spack.yaml
+ 4
− 2
View file @ 523a4a89
......@@ -6,11 +6,13 @@ spack:
- binutils@2.40+headers+ld
- fftw@3.3.10+openmp~mpi~pfft_patches
- openblas@0.3.23
- autoconf@2.71 # autotools 20210128 not in spack; manually
# autotools 20210128 not in spack; manually
- autoconf@2.71
- libtool@2.4.6
- automake@1.16.3
- cmake@3.26.3
- libxc@5.2.3+kxc # octopus-dependencies:
# octopus 0dependencies:
- libxc@5.2.3+kxc
- gsl@2.7
- sparskit@develop # 2021.06.01
- nlopt@2.7.0
......
toolchains/foss2023b-mpi/spack.yaml
+ 22
− 15
View file @ 523a4a89
......@@ -6,42 +6,49 @@ spack:
- openmpi@4.1.6~cuda fabrics=ucx schedulers=slurm ^slurm@20-11-4-1+pmix^ucx@1.14.1+cma~cuda+dc+dm~gdrcopy+ib_hw_tm+knem+mlx5_dv+rc+rdmacm+thread_multiple+ud+verbs+vfs~xpmem
- packages:
- binutils@2.40+headers+ld
- netlib-scalapack@2.2.0
- fftw@3.3.10+openmp+mpi+pfft_patches
- openblas@0.3.24
- autoconf@2.71 # autotools 20210128 not in spack; manually
# autotools 20210128 not in spack; manually
- autoconf@2.71
- libtool@2.4.6
- automake@1.16.3
- cmake@3.26.3
- libxc@5.2.3+kxc # octopus-dependencies:
# octopus dependencies:
- libxc@5.2.3+kxc
- gsl@2.7
- sparskit@develop # 2021.06.01
- elpa@2021.11.001 # elpa@2020.05.001
- sparskit@develop
- nlopt@2.7.0
- libgd@2.2.4 # 2.3.1
- libvdwxc@0.4.0+mpi+pfft
- libgd@2.2.4
- nfft@3.2.4
- berkeleygw@2.1+mpi
- python@3.9.5
- cgal@5.0.3
- dftbplus@21.2~arpack~gpu~mpi~sockets~transport+api+shared~openmp
- libpspio@0.3.0
# required for the buildbot
- perl-yaml@1.27
- packages_with_mpi:
- fftw@3.3.10+openmp+mpi+pfft_patches
- netlib-scalapack@2.2.0
# octopus dependencies:
- elpa@2021.11.001
- libvdwxc@0.4.0+mpi+pfft
- berkeleygw@2.1+mpi
- parmetis@4.0.3+int64
- pfft@1.0.8-alpha
- pnfft@1.0.7-alpha
- cgal@5.0.3 # 5.2
- hdf5@1.12.2+mpi
- netcdf-fortran@4.6.0 ^netcdf-c+mpi
- etsf-io@1.0.4
- bigdft-futile@1.9.2+mpi
- bigdft-psolver@1.9.2+mpi
- dftbplus@21.2~arpack~gpu~mpi~sockets~transport+api+shared~openmp
- libpspio@0.3.0
# required for the buildbot
- perl-yaml@1.27
- etsf-io@1.0.4
specs:
- matrix:
- [$mpis]
- [$%compilers]
- matrix:
- [$packages]
- [$%compilers]
- matrix:
- [$packages_with_mpi]
- [$^mpis]
- [$%compilers]
view: true
......
toolchains/foss2023b-serial/spack.yaml
+ 4
− 2
View file @ 523a4a89
......@@ -6,11 +6,13 @@ spack:
- binutils@2.40+headers+ld
- fftw@3.3.10+openmp~mpi+pfft_patches
- openblas@0.3.24
- autoconf@2.71 # autotools 20210128 not in spack; manually
# autotools 20210128 not in spack; manually
- autoconf@2.71
- libtool@2.4.6
- automake@1.16.3
- cmake@3.26.3
- libxc@5.2.3+kxc # octopus-dependencies:
# octopus dependencies:
- libxc@5.2.3+kxc
- gsl@2.7
- sparskit@develop # 2021.06.01
- nlopt@2.7.0
......
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