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Added namd@3.0.1 to stack (gpu-only)

Merged Added namd@3.0.1 to stack (gpu-only)
packages/namd into main
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Merged Daniel Filipe Jana requested to merge packages/namd into main
All threads resolved!
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stacks/pinot-noir/definitions_acc_cuda.yaml
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@@ -4,6 +4,7 @@ definitions:
@@ -4,6 +4,7 @@ definitions:
- cuda_serial_codes:
- cuda_serial_codes:
- cuda
- cuda
- cudnn
- cudnn
 
- namd@3.0.1 ^fftw ~mpi
- nccl
- nccl
- cuda_mpi_codes:
- cuda_mpi_codes: