--- trunk/OOPSE-3.0/configure	2006/04/25 02:09:01	2733
+++ trunk/OOPSE-3.0/configure	2006/05/16 02:06:37	2752
@@ -884,6 +884,7 @@ Optional Packages:
   --with-zlib=DIR root directory path of zlib installation defaults to
                     /usr/local or /usr if not found in /usr/local
   --without-zlib to disable zlib usage completely
+  --without-fftw          if you turn this off you cannot compute undulation spectra
   --with-mpi=<prefix>     compile with MPI installed in <prefix> [default=no]
   --with-cgal-makefile=FILE  CGAL makefile that should be used
 
@@ -1413,12 +1414,25 @@ ac_configure="$SHELL $ac_aux_dir/configure" # This sho
 
 
 
+# ACX_CHECK_FFTW()
+# ----------------
+# This macro checks for fftw header files and libraries,
+# including the possible prefixing with s or d to determine precision.
+# Arg 1 is the fftw header/library name to check for, without
+# prefix or anything else (e.g. rfftw_mpi for real MPI transforms)
+# Arg 2 is the size of the real variable used.
 
 
 
 
 
 
+
+
+
+
+
+
 #
 #
 #
@@ -2726,7 +2740,7 @@ echo "$as_me:2729:" \
 
 
 # Provide some information about the compiler.
-echo "$as_me:2729:" \
+echo "$as_me:2743:" \
      "checking for Fortran compiler version" >&5
 ac_compiler=`set X $ac_compile; echo $2`
 { (eval echo "$as_me:$LINENO: \"$ac_compiler --version </dev/null >&5\"") >&5
@@ -3977,7 +3991,7 @@ FCFLAGS="$FCFLAGS $ac_verb"
 # flags.
 ac_save_FFLAGS=$FCFLAGS
 FCFLAGS="$FCFLAGS $ac_verb"
-(eval echo $as_me:3980: \"$ac_link\") >&5
+(eval echo $as_me:3994: \"$ac_link\") >&5
 ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
 echo "$ac_fc_v_output" >&5
 FCFLAGS=$ac_save_FFLAGS
@@ -4055,7 +4069,7 @@ FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v"
 # flags.
 ac_save_FFLAGS=$FCFLAGS
 FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v"
-(eval echo $as_me:4058: \"$ac_link\") >&5
+(eval echo $as_me:4072: \"$ac_link\") >&5
 ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
 echo "$ac_fc_v_output" >&5
 FCFLAGS=$ac_save_FFLAGS
@@ -4791,7 +4805,7 @@ FCFLAGS="$FCFLAGS $ac_verb"
 # flags.
 ac_save_FFLAGS=$FCFLAGS
 FCFLAGS="$FCFLAGS $ac_verb"
-(eval echo $as_me:4794: \"$ac_link\") >&5
+(eval echo $as_me:4808: \"$ac_link\") >&5
 ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
 echo "$ac_fc_v_output" >&5
 FCFLAGS=$ac_save_FFLAGS
@@ -4869,7 +4883,7 @@ FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v"
 # flags.
 ac_save_FFLAGS=$FCFLAGS
 FCFLAGS="$FCFLAGS $ac_cv_prog_fc_v"
-(eval echo $as_me:4872: \"$ac_link\") >&5
+(eval echo $as_me:4886: \"$ac_link\") >&5
 ac_fc_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
 echo "$ac_fc_v_output" >&5
 FCFLAGS=$ac_save_FFLAGS
@@ -6124,10 +6138,1090 @@ fi
 echo "$as_me: error: either specify a valid zlib installation with --with-zlib=DIR or disable zlib usage with --without-zlib" >&2;}
    { (exit 1); exit 1; }; }
         fi
+fi
+
+
+
+# Check whether --with-fftw or --without-fftw was given.
+if test "${with_fftw+set}" = set; then
+  withval="$with_fftw"
+
+else
+  with_fftw=yes
+fi;
+if test "$with_fftw" = "no"; then
+
+cat >>confdefs.h <<\_ACEOF
+#define WITHOUT_FFTW
+_ACEOF
+
+fi
+if test "$with_fftw" = "yes"; then
+  sizeof_real=8
+
+
+if test -z "$ac_fftw_firstname"; then
+
+sizeof_real=$sizeof_real
+if test $sizeof_real = 8; then
+  prec="double"
+  fftwcheckprefix=d
+else
+  prec="single"
+  fftwcheckprefix=s
+fi
+
+xfftwname=${fftwcheckprefix}fftw3
+
+ok="no"
+# check header doesn't work, since we must use mpicc to get includes,
+# we cant trust cpp.
+echo "$as_me:$LINENO: checking for $xfftwname.h" >&5
+echo $ECHO_N "checking for $xfftwname.h... $ECHO_C" >&6
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <$xfftwname.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+
+fftwname=$xfftwname
+echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+
+# fftwname was set if we found a header
+
+if test -n "$fftwname"; then
+# we cannot run the code since an MPI program might not be allowed
+# on a login node of a supercomputer
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <$fftwname.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+int _array_ [1 - 2 * !((sizeof(fftw_real)) == $sizeof_real)];
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+
+ok=yes
+usedprefix=$fftwcheckprefix
+
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ok=no
 fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+fi
 
+if test "$ok" != "yes"; then
+  echo "$as_me:$LINENO: checking for fftw3.h" >&5
+echo $ECHO_N "checking for fftw3.h... $ECHO_C" >&6
+  cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <fftw3.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
 
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+  echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
 
+
+echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+{ { echo "$as_me:$LINENO: error: Cannot find any $prec precision $xfftwname.h or fftw3.h
+Do you have $prec precision FFTW installed? If you are using packages,
+note that you also need fftw-devel to use FFTW with OOPSE. You can find the
+software at www.fftw.org.
+If you compiled FFTW yourself:
+Note that the default FFTW setup is double precision.  If you want MPI support,
+use --with-mpi. It is a good idea to install both single & double.
+If you have installed FFTW in a non-standard location, you should
+provide the correct paths in the CPPFLAGS and LDFLAGS environment
+variables before running configure.
+That is also necessary to do if your compiler doesn't search
+/usr/local/include and /usr/local/lib by default." >&5
+echo "$as_me: error: Cannot find any $prec precision $xfftwname.h or fftw3.h
+Do you have $prec precision FFTW installed? If you are using packages,
+note that you also need fftw-devel to use FFTW with OOPSE. You can find the
+software at www.fftw.org.
+If you compiled FFTW yourself:
+Note that the default FFTW setup is double precision.  If you want MPI support,
+use --with-mpi. It is a good idea to install both single & double.
+If you have installed FFTW in a non-standard location, you should
+provide the correct paths in the CPPFLAGS and LDFLAGS environment
+variables before running configure.
+That is also necessary to do if your compiler doesn't search
+/usr/local/include and /usr/local/lib by default." >&2;}
+   { (exit 1); exit 1; }; }
+
+fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <fftw3.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+int _array_ [1 - 2 * !((sizeof(fftw_real)) == $sizeof_real)];
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+
+usedprefix=""
+fftwname=fftw3
+
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+
+{ { echo "$as_me:$LINENO: error: Cannot find any $prec precision $xfftwname.h or fftw3.h
+Do you have $prec precision FFTW installed? If you are using packages,
+note that you also need fftw-devel to use FFTW with OOPSE. You can find the
+software at www.fftw.org.
+If you compiled FFTW yourself:
+Note that the default FFTW setup is double precision.  If you want MPI support,
+use --with-mpi. It is a good idea to install both single & double.
+If you have installed FFTW in a non-standard location, you should
+provide the correct paths in the CPPFLAGS and LDFLAGS environment
+variables before running configure.
+That is also necessary to do if your compiler doesn't search
+/usr/local/include and /usr/local/lib by default." >&5
+echo "$as_me: error: Cannot find any $prec precision $xfftwname.h or fftw3.h
+Do you have $prec precision FFTW installed? If you are using packages,
+note that you also need fftw-devel to use FFTW with OOPSE. You can find the
+software at www.fftw.org.
+If you compiled FFTW yourself:
+Note that the default FFTW setup is double precision.  If you want MPI support,
+use --with-mpi. It is a good idea to install both single & double.
+If you have installed FFTW in a non-standard location, you should
+provide the correct paths in the CPPFLAGS and LDFLAGS environment
+variables before running configure.
+That is also necessary to do if your compiler doesn't search
+/usr/local/include and /usr/local/lib by default." >&2;}
+   { (exit 1); exit 1; }; }
+fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+fi
+
+
+as_ac_Lib=`echo "ac_cv_lib_$fftwname''_main" | $as_tr_sh`
+echo "$as_me:$LINENO: checking for main in -l$fftwname" >&5
+echo $ECHO_N "checking for main in -l$fftwname... $ECHO_C" >&6
+if eval "test \"\${$as_ac_Lib+set}\" = set"; then
+  echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+  ac_check_lib_save_LIBS=$LIBS
+LIBS="-l$fftwname  $LIBS"
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+
+
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+main ();
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext conftest$ac_exeext
+if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5
+  (eval $ac_link) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest$ac_exeext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+  eval "$as_ac_Lib=yes"
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+eval "$as_ac_Lib=no"
+fi
+rm -f conftest.err conftest.$ac_objext \
+      conftest$ac_exeext conftest.$ac_ext
+LIBS=$ac_check_lib_save_LIBS
+fi
+echo "$as_me:$LINENO: result: `eval echo '${'$as_ac_Lib'}'`" >&5
+echo "${ECHO_T}`eval echo '${'$as_ac_Lib'}'`" >&6
+if test `eval echo '${'$as_ac_Lib'}'` = yes; then
+  cat >>confdefs.h <<_ACEOF
+#define `echo "HAVE_LIB$fftwname" | $as_tr_cpp` 1
+_ACEOF
+
+  LIBS="-l$fftwname $LIBS"
+
+else
+  { { echo "$as_me:$LINENO: error: Can't find a library to match the $fftwname header" >&5
+echo "$as_me: error: Can't find a library to match the $fftwname header" >&2;}
+   { (exit 1); exit 1; }; }
+fi
+
+ac_fftw_savedprefix=$usedprefix
+ac_fftw_firstname=$fftwname
+
+else
+
+fftwname=${ac_fftw_savedprefix}fftw3
+echo "$as_me:$LINENO: checking for $fftwname.h" >&5
+echo $ECHO_N "checking for $fftwname.h... $ECHO_C" >&6
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <$fftwname.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+  echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+LIBS="-l$fftwname $LIBS"
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+
+
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+main ();
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext conftest$ac_exeext
+if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5
+  (eval $ac_link) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest$ac_exeext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+  :
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+fi
+rm -f conftest.err conftest.$ac_objext \
+      conftest$ac_exeext conftest.$ac_ext
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+
+echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+{ { echo "$as_me:$LINENO: error: Cant find $fftwname.h header. Make sure all your
+fftw prefixes match - we already use $ac_fftw_firstname.h" >&5
+echo "$as_me: error: Cant find $fftwname.h header. Make sure all your
+fftw prefixes match - we already use $ac_fftw_firstname.h" >&2;}
+   { (exit 1); exit 1; }; }
+
+fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+
+fi
+
+
+
+  if test "$with_mpi" = "yes"; then
+
+if test -z "$ac_fftw_firstname"; then
+
+sizeof_real=$sizeof_real
+if test $sizeof_real = 8; then
+  prec="double"
+  fftwcheckprefix=d
+else
+  prec="single"
+  fftwcheckprefix=s
+fi
+
+xfftwname=${fftwcheckprefix}fftw3_mpi
+
+ok="no"
+# check header doesn't work, since we must use mpicc to get includes,
+# we cant trust cpp.
+echo "$as_me:$LINENO: checking for $xfftwname.h" >&5
+echo $ECHO_N "checking for $xfftwname.h... $ECHO_C" >&6
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <$xfftwname.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+
+fftwname=$xfftwname
+echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+
+# fftwname was set if we found a header
+
+if test -n "$fftwname"; then
+# we cannot run the code since an MPI program might not be allowed
+# on a login node of a supercomputer
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <$fftwname.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+int _array_ [1 - 2 * !((sizeof(fftw_real)) == $sizeof_real)];
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+
+ok=yes
+usedprefix=$fftwcheckprefix
+
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ok=no
+fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+fi
+
+if test "$ok" != "yes"; then
+  echo "$as_me:$LINENO: checking for fftw3_mpi.h" >&5
+echo $ECHO_N "checking for fftw3_mpi.h... $ECHO_C" >&6
+  cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <fftw3_mpi.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+  echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+
+echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+{ { echo "$as_me:$LINENO: error: Cannot find any $prec precision $xfftwname.h or fftw3_mpi.h
+Do you have $prec precision FFTW installed? If you are using packages,
+note that you also need fftw-devel to use FFTW with OOPSE. You can find the
+software at www.fftw.org.
+If you compiled FFTW yourself:
+Note that the default FFTW setup is double precision.  If you want MPI support,
+use --with-mpi. It is a good idea to install both single & double.
+If you have installed FFTW in a non-standard location, you should
+provide the correct paths in the CPPFLAGS and LDFLAGS environment
+variables before running configure.
+That is also necessary to do if your compiler doesn't search
+/usr/local/include and /usr/local/lib by default." >&5
+echo "$as_me: error: Cannot find any $prec precision $xfftwname.h or fftw3_mpi.h
+Do you have $prec precision FFTW installed? If you are using packages,
+note that you also need fftw-devel to use FFTW with OOPSE. You can find the
+software at www.fftw.org.
+If you compiled FFTW yourself:
+Note that the default FFTW setup is double precision.  If you want MPI support,
+use --with-mpi. It is a good idea to install both single & double.
+If you have installed FFTW in a non-standard location, you should
+provide the correct paths in the CPPFLAGS and LDFLAGS environment
+variables before running configure.
+That is also necessary to do if your compiler doesn't search
+/usr/local/include and /usr/local/lib by default." >&2;}
+   { (exit 1); exit 1; }; }
+
+fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <fftw3_mpi.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+int _array_ [1 - 2 * !((sizeof(fftw_real)) == $sizeof_real)];
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+
+usedprefix=""
+fftwname=fftw3_mpi
+
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+
+{ { echo "$as_me:$LINENO: error: Cannot find any $prec precision $xfftwname.h or fftw3_mpi.h
+Do you have $prec precision FFTW installed? If you are using packages,
+note that you also need fftw-devel to use FFTW with OOPSE. You can find the
+software at www.fftw.org.
+If you compiled FFTW yourself:
+Note that the default FFTW setup is double precision.  If you want MPI support,
+use --with-mpi. It is a good idea to install both single & double.
+If you have installed FFTW in a non-standard location, you should
+provide the correct paths in the CPPFLAGS and LDFLAGS environment
+variables before running configure.
+That is also necessary to do if your compiler doesn't search
+/usr/local/include and /usr/local/lib by default." >&5
+echo "$as_me: error: Cannot find any $prec precision $xfftwname.h or fftw3_mpi.h
+Do you have $prec precision FFTW installed? If you are using packages,
+note that you also need fftw-devel to use FFTW with OOPSE. You can find the
+software at www.fftw.org.
+If you compiled FFTW yourself:
+Note that the default FFTW setup is double precision.  If you want MPI support,
+use --with-mpi. It is a good idea to install both single & double.
+If you have installed FFTW in a non-standard location, you should
+provide the correct paths in the CPPFLAGS and LDFLAGS environment
+variables before running configure.
+That is also necessary to do if your compiler doesn't search
+/usr/local/include and /usr/local/lib by default." >&2;}
+   { (exit 1); exit 1; }; }
+fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+fi
+
+
+as_ac_Lib=`echo "ac_cv_lib_$fftwname''_main" | $as_tr_sh`
+echo "$as_me:$LINENO: checking for main in -l$fftwname" >&5
+echo $ECHO_N "checking for main in -l$fftwname... $ECHO_C" >&6
+if eval "test \"\${$as_ac_Lib+set}\" = set"; then
+  echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+  ac_check_lib_save_LIBS=$LIBS
+LIBS="-l$fftwname  $LIBS"
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+
+
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+main ();
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext conftest$ac_exeext
+if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5
+  (eval $ac_link) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest$ac_exeext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+  eval "$as_ac_Lib=yes"
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+eval "$as_ac_Lib=no"
+fi
+rm -f conftest.err conftest.$ac_objext \
+      conftest$ac_exeext conftest.$ac_ext
+LIBS=$ac_check_lib_save_LIBS
+fi
+echo "$as_me:$LINENO: result: `eval echo '${'$as_ac_Lib'}'`" >&5
+echo "${ECHO_T}`eval echo '${'$as_ac_Lib'}'`" >&6
+if test `eval echo '${'$as_ac_Lib'}'` = yes; then
+  cat >>confdefs.h <<_ACEOF
+#define `echo "HAVE_LIB$fftwname" | $as_tr_cpp` 1
+_ACEOF
+
+  LIBS="-l$fftwname $LIBS"
+
+else
+  { { echo "$as_me:$LINENO: error: Can't find a library to match the $fftwname header" >&5
+echo "$as_me: error: Can't find a library to match the $fftwname header" >&2;}
+   { (exit 1); exit 1; }; }
+fi
+
+ac_fftw_savedprefix=$usedprefix
+ac_fftw_firstname=$fftwname
+
+else
+
+fftwname=${ac_fftw_savedprefix}fftw3_mpi
+echo "$as_me:$LINENO: checking for $fftwname.h" >&5
+echo $ECHO_N "checking for $fftwname.h... $ECHO_C" >&6
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+#include <$fftwname.h>
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+  (eval $ac_compile) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest.$ac_objext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+  echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+LIBS="-l$fftwname $LIBS"
+cat >conftest.$ac_ext <<_ACEOF
+/* confdefs.h.  */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h.  */
+
+
+#ifdef FC_DUMMY_MAIN
+#ifndef FC_DUMMY_MAIN_EQ_F77
+#  ifdef __cplusplus
+     extern "C"
+#  endif
+   int FC_DUMMY_MAIN() { return 1; }
+#endif
+#endif
+int
+main ()
+{
+main ();
+  ;
+  return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext conftest$ac_exeext
+if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5
+  (eval $ac_link) 2>conftest.er1
+  ac_status=$?
+  grep -v '^ *+' conftest.er1 >conftest.err
+  rm -f conftest.er1
+  cat conftest.err >&5
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); } &&
+	 { ac_try='test -z "$ac_c_werror_flag"
+			 || test ! -s conftest.err'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; } &&
+	 { ac_try='test -s conftest$ac_exeext'
+  { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+  (eval $ac_try) 2>&5
+  ac_status=$?
+  echo "$as_me:$LINENO: \$? = $ac_status" >&5
+  (exit $ac_status); }; }; then
+  :
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+fi
+rm -f conftest.err conftest.$ac_objext \
+      conftest$ac_exeext conftest.$ac_ext
+else
+  echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+
+echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+{ { echo "$as_me:$LINENO: error: Cant find $fftwname.h header. Make sure all your
+fftw prefixes match - we already use $ac_fftw_firstname.h" >&5
+echo "$as_me: error: Cant find $fftwname.h header. Make sure all your
+fftw prefixes match - we already use $ac_fftw_firstname.h" >&2;}
+   { (exit 1); exit 1; }; }
+
+fi
+rm -f conftest.err conftest.$ac_objext conftest.$ac_ext
+
+fi
+
+
+  fi
+
+  case ${ac_fftw_savedprefix} in
+   d)
+cat >>confdefs.h <<\_ACEOF
+#define FFTW_NAME_DFFTW
+_ACEOF
+ ;;
+   *)
+cat >>confdefs.h <<\_ACEOF
+#define FFTW_NAME_FFTW
+_ACEOF
+ ;;
+  esac
+else
+  echo "*******************************************************************"
+  echo "* FFTW libraries and include files are required for computing     *"
+  echo "* undulation spectra with the staticProps program.  If you don't  *"
+  echo "* fftw turned on, OOPSE will still work, but you won't be able to *"
+  echo "* analyze your trajectories for this property.                    *"
+  echo "*******************************************************************"
+fi # end of fftw check
+
 # Checks for header files.
 echo "$as_me:$LINENO: checking for ANSI C header files" >&5
 echo $ECHO_N "checking for ANSI C header files... $ECHO_C" >&6
@@ -11142,7 +12236,7 @@ if test "$ac_test_FFLAGS" != "set"; then
   case "${host_cpu}-${host_os}" in
 
   *linux*) if test "$FC" = ifc -o "$FC" = ifort; then
-                    FCFLAGS="-fast"
+                    FCFLAGS="-O3 -ip -no-prec-div -cxxlib-icc"
                 fi;;
    rs6000*-aix*)  if test "$FC" = xlf90 -o "$FC" = f90 -o "$FC" = xlf95; then
                     FCFLAGS="-O3 -qarch=pwrx -qtune=pwrx -qansialias -w"
@@ -12689,6 +13783,7 @@ USE_CGAL=no
 
 
 
+
 USE_CGAL=no
 cgal_makefile=auto