this is just a backup commit

Code/Demos/RDKit/MPI/Jamfile

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+project /RDKit/DemoMPI : requirements <library>/mpi//mpi : ;
+import mpi ;
+
+if [ mpi.configured ]
+{
+exe rdkexample1 : rdkexample1.cpp /boost/mpi//boost_mpi 
+RDKLibs
+;
+
+alias RDKLibs :   ../../../GraphMol/SmilesParse//SmilesParse
+  ../../../GraphMol//GraphMol 
+  ../../../DataStructs//DataStructs	
+  ../../../RDGeneral//RDGeneral ../../../Geometry//RDGeometry
+;
+
+install rdkexample1.exe : rdkexample1
+  : <location>. ;
+
+}

Code/Demos/RDKit/MPI/rdkexample1.cpp

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+// $Id$
+//
+//  Copyright (C) 2009 Greg Landrum
+//   All Rights Reserved
+//
+
+#include <RDGeneral/Invariant.h>
+#include <GraphMol/RDKitBase.h>
+#include <GraphMol/SmilesParse/SmilesParse.h>
+#include <GraphMol/SmilesParse/SmilesWrite.h>
+#include <RDGeneral/RDLog.h>
+#include <vector>
+#include <algorithm>
+#include <boost/mpi.hpp>
+#include <iostream>
+#include <cstdlib>
+#include <string>
+
+namespace mpi = boost::mpi;
+
+
+int main(int argc, char* argv[])
+{
+  mpi::environment env(argc, argv);
+  mpi::communicator world;
+
+  std::srand(time(0) + world.rank());
+  std::string txt(std::rand()%10+1,'C');
+
+  RDKit::ROMol *m=RDKit::SmilesToMol(txt);
+
+  if (world.rank() == 0) {
+    std::vector<unsigned int> all_vals;
+    gather(world, m->getNumAtoms(), all_vals, 0);
+    for (int proc = 0; proc < world.size(); ++proc)
+      std::cout << "Process #" << proc << " thought of " 
+                << all_vals[proc] << std::endl;
+  } else {
+    gather(world, m->getNumAtoms(), 0);
+  }
+  delete m;
+  return 0;
+} 
+