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Commit b490e2b1 authored by one's avatar one
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Update envs

parent 1abf7018
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Showing with 5 additions and 10 deletions
envs/dtk25.04.4.yaml
View file @ b490e2b1
...@@ -53,14 +53,9 @@ packages: ...@@ -53,14 +53,9 @@ packages:
require: require:
- '@5' - '@5'
- fabrics=ucx - fabrics=ucx
- ~rocm
- ~cuda~java~memchecker~internal-hwloc - ~cuda~java~memchecker~internal-hwloc
prefer: prefer:
- "%gcc_all" - amdgpu_target:=gfx936
buildable: true
externals:
- spec: openmpi@5.0.8+atomics~cuda~debug+fortran~gpfs~internal-hwloc~internal-libevent~internal-pmix~ipv6~java~lustre~memchecker~openshmem+rocm~romio+rsh~static~two_level_namespace+vt+wrapper-rpath build_system=autotools fabrics:=ucx romio-filesystem:=none schedulers:=none amdgpu_target:=gfx936
prefix: /opt/mpi
ucx: ucx:
require: require:
- '@1' - '@1'
......
envs/gromacs.yaml
View file @ b490e2b1
spack: spack:
include: include:
# Replace this with the real path # Replace this with the real path
- /path/to/dtk25.04.4.yaml - /workspace/spack-configs/envs/dtk25.04.4.yaml
specs: specs:
- gromacs@2026+hwloc+mpi~opencl+openmp+sycl+rocm ^openmpi ^hipsycl+rocm - gromacs@2026+hwloc+mpi~opencl+openmp+sycl+rocm ^openmpi~fortran+rocm ^hipsycl+rocm
envs/lammps.yaml
View file @ b490e2b1
spack: spack:
include: include:
# Replace this with the real path # Replace this with the real path
- /path/to/dtk25.04.4.yaml - /workspace/spack-configs/envs/dtk25.04.4.yaml
specs: specs:
- lammps@20250722+mpi+kokkos+kspace+manybody+molecule+replica+rigid+rocm fft_kokkos=hipfft ^openmpi ^kokkos@4+rocm - lammps@20250722+mpi+kokkos+kspace+manybody+molecule+replica+rigid+rocm fft_kokkos=hipfft ^openmpi~fortran+rocm ^fftw ^kokkos@4+rocm
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