HvD: Added a script to modify the Global Array include files adding interface

blocks. These interface block allow the compiler to check whether the relevant
GA routines are called with the correct data types for the arguments. It is 
expected that these checks will be crucial to get the MAPOINTER stuff right.

contrib/mapointer_test/README

@@ -0,0 +1,7 @@
+README fix_include_files
+========================
+
+The script fix_include_files is supposed to be run from this directory. 
+It modifies include files in the GA adding Fortran90 interface blocks so that
+the compiler can check whether critical routines are called with the correct
+data types. More comments on the how and why are included in the script itself.

contrib/mapointer_test/fix_include_files

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+#!/bin/bash
+#
+# $Id$
+#
+# We have introduced a macro MAPOINTER to explicitly define the Fortran
+# data type for an MA/GA index. On 64-bit platforms these indeces need to be
+# of type integer*8, whereas on 32-bit platforms these need to be integer*4. 
+# The reason for this is that the MA library allocates memory returning offsets
+# with respect to arrays in a common block. These offsets are computed from the
+# difference of 2 C-language pointers. The corresponding Fortran data types
+# must be large enough to hold the resulting integer values.
+#
+# When this whole operation is done NWChem will be using 2 different kinds of
+# integers. Explicitly declared integers (either integer*8 or integer*4) for
+# the MA indeces and default type integers for everything else. The problem with
+# this is that mistakes will be hard to detect unless we get some help from the
+# compiler. 
+#
+# With Fortran90 compiler help is easily organized with interface blocks. 
+# However, we do not want to force the whole code to become Fortran90 forever.
+# So we do not want include the interface blocks permanently in the GA include
+# files. 
+#
+# This script looks for the appropriate GA include files and modifies them to
+# include the interface blocks we need to ensure we have the index data types
+# right. Running this script requires a subsequence "make realclean" to ensure
+# that GA regenerates all its include files (the files we will change are
+# typically files that will be pre-processed to generate the real include
+# files). Hopefully, with this tool in place the transition will be smooth
+# (famous last words...).
+#
+# Huub van Dam, July 30, 2012.
+#
+export MAFDECLS=../../src/tools/ga-5-1/ma/mafdecls.fh.in
+export GLOBAL=../../src/tools/ga-5-1/global/src/global.fh.in
+#
+# Do the MA include file
+#
+grep interface ${MAFDECLS}
+status=$?
+if [ ${status} -ne 0 ] ; then
+  grep -i -v ma_alloc_get | grep -i -v ma_get_index | grep -i -v ma_push_get > /tmp/mafdecls.$$
+  cat << EOF >> /tmp/mafdecls.$$
+      interface
+        logical function MA_alloc_get(itype,n,name,handle,index)
+          integer itype, n, handle
+          character*(*) name
+          MA_ACCESS_INDEX_TYPE index
+        end function MA_alloc_get
+        logical function MA_get_index(handle,index)
+          integer handle
+          MA_ACCESS_INDEX_TYPE index
+        end function MA_get_index
+        logical function MA_push_get(itype,n,name,handle,index)
+          integer itype, n, handle
+          character*(*) name
+          MA_ACCESS_INDEX_TYPE index
+        end function MA_push_get
+      end interface
+EOF
+  mv /tmp/mafdecls.$$ ${MAFDECLS}
+fi
+#
+# Do the GA include file
+#
+grep interface ${GLOBAL}
+status=$?
+if [ ${status} -ne 0 ] ; then
+  cat << EOF >> ${GLOBAL}
+      interface
+        subroutine GA_access(g_a,ilo,ihi,jlo,jhi,index,ld)
+          integer g_a,ilo,ihi,jlo,jhi,ld
+          GA_ACCESS_INDEX_TYPE index
+        end subroutine GA_access
+        subroutine NGA_access(g_a,lo,hi,index,ld)
+          integer g_a,lo(:),hi(:),ld(:)
+          GA_ACCESS_INDEX_TYPE index
+        end subroutine NGA_access
+      end interface
+EOF
+fi