--- ../../../amber11-orig/AmberTools/src/configure 2010-03-31 22:59:26.000000000 -0400 +++ configure 2010-04-01 16:28:23.000000000 -0400 @@ -1153,14 +1153,21 @@ if [ "$mpi" = 'yes' ]; then sander_rism_mpi='sander.RISM.MPI$(SFX)' if [ "$cygwin" = 'no' ]; then + rism='yes' if [ "$rismmpi" = 'yes' ]; then + if [ -z $XTRA_FLIBS ]; then + echo + echo "Error: Compiling 3D-RISM support in MPI NAB requires setting" + echo "XTRA_FLIBS to the name of the Fortran MPI libraries for" + echo "your MPI distribution. E.g., for OpenMPI" + echo "export XTRA_FLIBS=-lmpi_f77" + exit 1 + fi rismsff="-DRISMSFF" nablibrism="librism" - rism='yes' else rismsff="" nablibrism="" - rism='no' fi else sander_rism_mpi=""