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lammps: improve FFT selection and add fft_kokkos variant (#45969)

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Nick Hagerty
2024-08-27 01:15:12 -04:00
committed by GitHub
parent 76957f19f9
commit 680d1f2e58
2 changed files with 30 additions and 15 deletions
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4
share/spack/gitlab/cloud_pipelines/stacks/aws-pcluster-x86_64_v4/packages.yaml
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@@ -26,8 +26,8 @@ packages:
lammps:
require:
- one_of:
- "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package +intel ^intel-oneapi-mkl target=x86_64_v4"
- "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package ^intel-oneapi-mkl target=x86_64_v3"
- "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package +intel fft=mkl ^intel-oneapi-mkl target=x86_64_v4"
- "lammps_sizes=bigbig +molecule +kspace +rigid +asphere +opt +openmp +openmp-package fft=mkl ^intel-oneapi-mkl target=x86_64_v3"
when: "%intel"
libidn2:
require: