diff --git a/stacks/pinot-noir/packages_acc_cuda.yaml b/stacks/pinot-noir/packages_acc_cuda.yaml index 173f602b5bfac016ac2288fa29bb4b8b552d6c6b..f4eccc4f58d3513614e39f544fcff836ce49268e 100644 --- a/stacks/pinot-noir/packages_acc_cuda.yaml +++ b/stacks/pinot-noir/packages_acc_cuda.yaml @@ -49,7 +49,7 @@ packages: require: ['+cuda', 'cuda_arch={cuda_arch}'] namd: - require: ['+cuda', '+single_node_gpu', 'cuda_arch={cuda_arch}', 'interface=tcl'] + require: ['+cuda', '+single_node_gpu', 'cuda_arch={cuda_arch}'] nvshmem: require: diff --git a/stacks/pinot-noir/packages_stack.yaml b/stacks/pinot-noir/packages_stack.yaml index 40744870680efb3d8281400207c627438e2c6ab0..e59f8dcfa4a81786155d750e277053bc8c7a8524 100644 --- a/stacks/pinot-noir/packages_stack.yaml +++ b/stacks/pinot-noir/packages_stack.yaml @@ -234,6 +234,9 @@ packages: mumps: require: ['+openmp', '+metis', '+parmetis'] + namd: + require: ['interface=tcl'] + netcdf-c: prefer: ['+mpi']