--- trunk/OOPSE/ac-tools/configure.in	2003/10/27 16:20:59	822
+++ trunk/OOPSE/ac-tools/configure.in	2004/06/04 02:38:23	1233
@@ -6,7 +6,6 @@ builtin(include, ac-tools/aclocal.m4)
 builtin(include, ac-tools/fortran90.m4)
 builtin(include, ac-tools/aclocal.m4)
 
-
 AC_CONFIG_SRCDIR([src/oopse.cpp])
 
 AC_PREFIX_DEFAULT("/usr/local")
@@ -29,13 +28,78 @@ dnl Checks for programs.
 # who am i
 AC_CANONICAL_HOST
 
-dnl Checks for programs.
+dnl Checks for C compiler
 AC_PROG_CC([icc xlc gcc cc])
-AC_PROG_CXX([icpc icc xlC CC g++ c++])
-AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
+
+dnl Checks for C++ compiler
+AC_PROG_CXX([icpc icc xlc++ xlC CC g++ c++])
+
+dnl If we are not running g++ then we might need some other flags
+dnl to get the templates compiled correctly
+OOPSE_TEMPLATE_FLAGS=""
+if test $ac_cv_prog_gxx = no; then
+  AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink])
+  echo 'void f(){}' > conftest.cc
+  if test -z "`${CXX} -ptused -no_prelink -c conftest.cc 2>&1`"; then
+    AC_MSG_RESULT(yes)
+    OOPSE_TEMPLATE_FLAGS="-ptused -no_prelink"
+  else
+    AC_MSG_RESULT(no)
+  fi
+  rm -f conftest*
+  AC_MSG_CHECKING([checking whether ${CXX} accepts -instances=static])
+  echo 'void f(){}' > conftest.cc
+  if test -z "`${CXX} -instances=static -c conftest.cc 2>&1`"; then
+    AC_MSG_RESULT(yes)
+    OOPSE_TEMPLATE_FLAGS="-instances=static"
+  else
+    AC_MSG_RESULT(no)
+  fi
+  rm -f conftest*
+  AC_MSG_CHECKING([checking whether ${CXX} accepts -pto])
+  echo 'void f(){}' > conftest.cc
+  if test -z "`${CXX} -pto -c conftest.cc 2>&1`"; then
+    AC_MSG_RESULT(yes)
+    OOPSE_TEMPLATE_FLAGS="-pto"
+  else
+    AC_MSG_RESULT(no)
+  fi
+  rm -f conftest*
+  AC_MSG_CHECKING([checking whether ${CXX} accepts -LANG:std])
+  echo 'void f(){}' > conftest.cc
+  if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then
+    AC_MSG_RESULT(yes)
+    
+
+    EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std"
+  else
+    AC_MSG_RESULT(no)
+  fi
+fi
+AC_SUBST(OOPSE_TEMPLATE_FLAGS)
+AC_SUBST(EXTRA_CC_FLAG)
+
+dnl Fortran 90 compilation checks are next
+
+AC_PROG_F90([ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
+dnl Check the flag for Fortran90 preprocessing
 ACX_PROG_F90_PREPFLAG
+dnl Check to see if a flag is required for preprocessing defines
 ACX_PROG_F90_PREPDEFFLAG
+AC_LANG_PUSH(Fortran 90)
+AC_LANG_PREPROC(Fortran 90)
+AC_F90_LIBRARY_LDFLAGS
+dnl How does Fortran mangle function names
+AC_F90_WRAPPERS
+AC_SUBST(F90_FUNC)
+AC_SUBST(F90_FUNC_)
+dnl Fortran 90 module suffix
+AC_CHECK_MODSUFFIX
+dnl Fortran 90 module path specifier
+AC_CHECK_MODDIRFLAG
 
+dnl check for strong optimization options
+
 case $debug in
   1) 
      ;;
@@ -59,84 +123,32 @@ AC_LANG_PUSH(Fortran 90)
   exit 1
 fi
 
-AC_LANG_PUSH(Fortran 90)
-AC_LANG_PREPROC(Fortran 90)
-AC_F90_LIBRARY_LDFLAGS
-dnl how Fortran mangles function names
-AC_F90_WRAPPERS
-AC_SUBST(F90_FUNC)
-AC_SUBST(F90_FUNC_)
 
-AC_MSG_CHECKING([for mpi-directory])
-AC_ARG_WITH(mpi_dir,
-	      [  --with-mpi_dir=MPIDIR   give the path for MPI [/usr/local]],
-	        MPI_DIR="$withval", MPI_DIR="/usr/local")
-AC_MSG_RESULT([$MPI_DIR])
-AC_SUBST([mpi_dir])
+AC_ARG_WITH(mpi,
+    	[AC_HELP_STRING([--with-mpi=<prefix>],
+		[compile with MPI libraries in <prefix> [default=no]])],
+	with_mpi=$withval,
+	with_mpi="no")
 
-AC_MSG_CHECKING([for mpi-lib-directory])
-AC_ARG_WITH(mpi_libdir,
-	      [  --with-mpi-libdir=dir  give the path for MPI-libraries [MPI_DIR/lib]],
-	        MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib")
-AC_MSG_RESULT([$MPI_LIBDIR])
-AC_SUBST([MPI_LIBDIR])
-
-AC_MSG_CHECKING([for mpi-inc-directory])
-AC_ARG_WITH(mpi_inc,
-	      [  --with-mpi_inc=dir  give the path for MPI-include-files [MPI_DIR/include]],
-	        MPI_INC="$withval", MPI_INC="$MPI_DIR/include")
-AC_MSG_RESULT([$MPI_INC])
-AC_SUBST([MPI_INC])
-
-
-AC_MSG_CHECKING([for MPI library])
-MPI_LIB=""
-case "$host" in
-  *-ibm-aix*)                dnl IBM/SP2 machines
-    dnl checking whether to use signal-based MPI
-
-    AC_MSG_CHECKING([whether to use signal-based MPI library])
-    AC_MSG_RESULT([$PACX_SIGNAL])
-    if test "x$PACX_SIGNAL" = "xyes" ; then
-      if test -f "$MPI_LIBDIR/libmpi.a" ; then
-        MPI_LIB="-lmpi"
-      elif test -f "$MPI_LIBDIR/libmpi.so" ; then
-        MPI_LIB="-lmpi"
-      elif test -f "$MPI_LIBDIR/libmpich.a" ; then
-        MPI_LIB="-lmpich"
-      else
-        AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...])
-      fi
-    else
-      if test -f "$MPI_LIBDIR/libmpi_r.a" ; then
-         MPI_LIB="-lmpi_r"
-      else
-         AC_MSG_ERROR([libmpi_r not found; check path for MPI package...])
-      fi
-    fi
-    AC_MSG_RESULT(found $MPI_LIB)
-  ;;
-  *)                         dnl All other machines
-    if test -f "$MPI_LIBDIR/libmpi.a" ; then
-      MPI_LIB="-lmpi"
-    elif test -f "$MPI_LIBDIR/libmpi.so" ; then
-      MPI_LIB="-lmpi"
-    elif test -f "$MPI_LIBDIR/libmpich.a" ; then
-      MPI_LIB="-lmpich"
-    else
-      AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...])
-    fi
-    AC_MSG_RESULT(found $MPI_LIB)
-  ;;
+case "x$with_mpi" in
+        xyes | "x")  USE_MPI=yes;;
+        xno) USE_MPI=no ;;
+        *) MPI="$with_mpi"; USE_MPI=yes ;;
 esac
-AC_SUBST(MPI_LIB)
+if test "$USE_MPI" = "yes" -a -z "$with_mpi"; then
+        MPI="/usr/local"
+fi
+if test "$USE_MPI" = "yes"; then
+	echo "MPI = $MPI"
+        ACX_MPI
+fi
+AC_SUBST(USE_MPI)
 
-ACX_MPI
 
 AM_PATH_SPRNG
 CHECK_MKL
-AC_CHECK_MPI_F90MOD
 
+
 AC_EXEEXT
 AC_OBJEXT
 OBJEXT=".$OBJEXT"
@@ -162,7 +174,7 @@ SUBDIRS="libBASS libmdtools src forceFields samples ut
 MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
 
 dnl **** Final list of subdirs
-SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps"
+SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party "
 
 dnl **** Define CFLAGS etc empty to prevent configure from setting them
 CFLAGS=${CFLAGS-""}
@@ -175,8 +187,6 @@ case $debug in
 
 case $debug in
   1) 
-     CFLAGS="$DEBUG $CFLAGS"
-     CXXFLAGS="$DEBUG $CXXFLAGS"
      FFLAGS="$DEBUG $FFLAGS"
      F90FLAGS="$DEBUG $F90FLAGS"
      ;;
@@ -200,11 +210,12 @@ AC_CONFIG_HEADER([libmdtools/config.h])
 AC_SUBST(LDFLAGS)
 AC_SUBST(PREPFLAG)
 AC_SUBST(PREPDEFFLAG)
-AC_CONFIG_HEADER([libmdtools/config.h])
+AC_CONFIG_HEADER([libBASS/config.h libmdtools/config.h])
 AC_CONFIG_FILES([Makefile
 	libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile
 	utils/sysbuilder/Makefile  forceFields/Makefile samples/Makefile
 	staticProps/Makefile
+        third-party/Makefile
 	samples/alkane/Makefile samples/argon/Makefile
 	samples/beadLipid/Makefile samples/lipid/Makefile
 	samples/metals/Makefile samples/water/Makefile