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e4s: add gromacs (#42266)

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eugeneswalker 2024-01-25 11:48:25 -08:00 committed by GitHub
parent 1e3b7a6df1
commit 266bbad8cd
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5 changed files with 10 additions and 0 deletions
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3
share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse-v2/spack.yaml
View file

@ -199,6 +199,7 @@ spack:
- chai ~benchmarks ~tests +cuda cuda_arch=75 ^umpire ~shared
- flecsi +cuda cuda_arch=75
- ginkgo +cuda cuda_arch=75
- gromacs +cuda cuda_arch=75
- heffte +cuda cuda_arch=75
- hpx +cuda cuda_arch=75
- hypre +cuda cuda_arch=75
@ -244,6 +245,7 @@ spack:
- chai ~benchmarks ~tests +cuda cuda_arch=80 ^umpire ~shared
- flecsi +cuda cuda_arch=80
- ginkgo +cuda cuda_arch=80
- gromacs +cuda cuda_arch=80
- heffte +cuda cuda_arch=80
- hpx +cuda cuda_arch=80
- hypre +cuda cuda_arch=80
@ -289,6 +291,7 @@ spack:
- chai ~benchmarks ~tests +cuda cuda_arch=90 ^umpire ~shared
- flecsi +cuda cuda_arch=90
- ginkgo +cuda cuda_arch=90
- gromacs +cuda cuda_arch=90
- heffte +cuda cuda_arch=90
- hpx +cuda cuda_arch=90
- kokkos +wrapper +cuda cuda_arch=90

3
share/spack/gitlab/cloud_pipelines/stacks/e4s-neoverse_v1/spack.yaml
View file

@ -197,6 +197,7 @@ spack:
- chai ~benchmarks ~tests +cuda cuda_arch=75 ^umpire ~shared
- flecsi +cuda cuda_arch=75
- ginkgo +cuda cuda_arch=75
- gromacs +cuda cuda_arch=75
- heffte +cuda cuda_arch=75
- hpx +cuda cuda_arch=75
- hypre +cuda cuda_arch=75
@ -242,6 +243,7 @@ spack:
- chai ~benchmarks ~tests +cuda cuda_arch=80 ^umpire ~shared
- flecsi +cuda cuda_arch=80
- ginkgo +cuda cuda_arch=80
- gromacs +cuda cuda_arch=80
- heffte +cuda cuda_arch=80
- hpx +cuda cuda_arch=80
- hypre +cuda cuda_arch=80
@ -287,6 +289,7 @@ spack:
- chai ~benchmarks ~tests +cuda cuda_arch=90 ^umpire ~shared
- flecsi +cuda cuda_arch=90
- ginkgo +cuda cuda_arch=90
- gromacs +cuda cuda_arch=90
- heffte +cuda cuda_arch=90
- hpx +cuda cuda_arch=90
- kokkos +wrapper +cuda cuda_arch=90

1
share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml
View file

@ -98,6 +98,7 @@ spack:
- gmp
- gotcha
- gptune ~mpispawn
- gromacs
- h5bench
- hdf5-vol-async
- hdf5-vol-cache

1
share/spack/gitlab/cloud_pipelines/stacks/e4s-power/spack.yaml
View file

@ -202,6 +202,7 @@ spack:
- exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=70 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=70 #^raja@0.14.0
- flecsi +cuda cuda_arch=70
- ginkgo +cuda cuda_arch=70
- gromacs +cuda cuda_arch=70
- heffte +cuda cuda_arch=70
- hpx +cuda cuda_arch=70
- hypre +cuda cuda_arch=70

2
share/spack/gitlab/cloud_pipelines/stacks/e4s/spack.yaml
View file

@ -211,6 +211,7 @@ spack:
- exago +mpi +python +raja +hiop ~rocm +cuda cuda_arch=80 ~ipopt ^hiop@1.0.0 ~sparse +mpi +raja ~rocm +cuda cuda_arch=80 #^raja@0.14.0
- flecsi +cuda cuda_arch=80
- ginkgo +cuda cuda_arch=80
- gromacs +cuda cuda_arch=80
- heffte +cuda cuda_arch=80
- hpx +cuda cuda_arch=80
- hypre +cuda cuda_arch=80
@ -254,6 +255,7 @@ spack:
- cusz +cuda cuda_arch=90
- flecsi +cuda cuda_arch=90
- ginkgo +cuda cuda_arch=90
- gromacs +cuda cuda_arch=90
- heffte +cuda cuda_arch=90
- hpx +cuda cuda_arch=90
- kokkos +wrapper +cuda cuda_arch=90