Add namd.yaml

79f31d51 · one · 513b112a · 79f31d51
Commit 79f31d51 authored Feb 12, 2026 by one
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envs/namd.yaml envs/namd.yaml +6 -0

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--- a/envs/namd.yaml
+++ b/envs/namd.yaml
+spack:
+  include:
+  # Replace this with the real path
+  - /workspace/spack-configs/envs/dtk25.04.4.yaml
+  specs:
+  - namd@3.0.2+rocm+single_node_gpu fftw=3 ^charmpp~fortran backend=multicore build-target=charm++