Merge branch 'packages/namd-tcl' into 'main'

Add namd with tcl support

See merge request !26

stacks/pinot-noir/definitions_acc_cuda.yaml

@@ -5,6 +5,7 @@ definitions:
       - cuda
       - cudnn
       - namd@3.0.1 ^fftw ~mpi
+      - namd@3.0.1 interface=tcl ^fftw ~mpi
       - nccl
 
   - cuda_mpi_codes:

stacks/pinot-noir/modules_common.yaml

@@ -30,6 +30,7 @@ modules:
           '+ilp64': int64
           '+int64': int64
           'version_suffix=jl': julia
+          'interface=tcl': tcl
         autoload: run
 
       hide_implicits: true

stacks/pinot-noir/packages_stack.yaml

@@ -234,6 +234,9 @@ packages:
   mumps:
     require: ['+openmp', '+metis', '+parmetis']
 
+  namd:
+    require: ['interface=tcl']
+
   netcdf-c:
     prefer: ['+mpi']