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root/group/trunk/OOPSE/ac-tools/configure.in
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Comparing trunk/OOPSE/ac-tools/configure.in (file contents):
Revision 822 by gezelter, Mon Oct 27 16:20:59 2003 UTC vs.
Revision 1233 by gezelter, Fri Jun 4 02:38:23 2004 UTC

# Line 6 | Line 6 | builtin(include, ac-tools/aclocal.m4)
6   builtin(include, ac-tools/fortran90.m4)
7   builtin(include, ac-tools/aclocal.m4)
8  
9 –
9   AC_CONFIG_SRCDIR([src/oopse.cpp])
10  
11   AC_PREFIX_DEFAULT("/usr/local")
# Line 29 | Line 28 | dnl Checks for programs.
28   # who am i
29   AC_CANONICAL_HOST
30  
31 < dnl Checks for programs.
31 > dnl Checks for C compiler
32   AC_PROG_CC([icc xlc gcc cc])
33 < AC_PROG_CXX([icpc icc xlC CC g++ c++])
34 < AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
33 >
34 > dnl Checks for C++ compiler
35 > AC_PROG_CXX([icpc icc xlc++ xlC CC g++ c++])
36 >
37 > dnl If we are not running g++ then we might need some other flags
38 > dnl to get the templates compiled correctly
39 > OOPSE_TEMPLATE_FLAGS=""
40 > if test $ac_cv_prog_gxx = no; then
41 >  AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink])
42 >  echo 'void f(){}' > conftest.cc
43 >  if test -z "`${CXX} -ptused -no_prelink -c conftest.cc 2>&1`"; then
44 >    AC_MSG_RESULT(yes)
45 >    OOPSE_TEMPLATE_FLAGS="-ptused -no_prelink"
46 >  else
47 >    AC_MSG_RESULT(no)
48 >  fi
49 >  rm -f conftest*
50 >  AC_MSG_CHECKING([checking whether ${CXX} accepts -instances=static])
51 >  echo 'void f(){}' > conftest.cc
52 >  if test -z "`${CXX} -instances=static -c conftest.cc 2>&1`"; then
53 >    AC_MSG_RESULT(yes)
54 >    OOPSE_TEMPLATE_FLAGS="-instances=static"
55 >  else
56 >    AC_MSG_RESULT(no)
57 >  fi
58 >  rm -f conftest*
59 >  AC_MSG_CHECKING([checking whether ${CXX} accepts -pto])
60 >  echo 'void f(){}' > conftest.cc
61 >  if test -z "`${CXX} -pto -c conftest.cc 2>&1`"; then
62 >    AC_MSG_RESULT(yes)
63 >    OOPSE_TEMPLATE_FLAGS="-pto"
64 >  else
65 >    AC_MSG_RESULT(no)
66 >  fi
67 >  rm -f conftest*
68 >  AC_MSG_CHECKING([checking whether ${CXX} accepts -LANG:std])
69 >  echo 'void f(){}' > conftest.cc
70 >  if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then
71 >    AC_MSG_RESULT(yes)
72 >    
73 >
74 >    EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std"
75 >  else
76 >    AC_MSG_RESULT(no)
77 >  fi
78 > fi
79 > AC_SUBST(OOPSE_TEMPLATE_FLAGS)
80 > AC_SUBST(EXTRA_CC_FLAG)
81 >
82 > dnl Fortran 90 compilation checks are next
83 >
84 > AC_PROG_F90([ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
85 > dnl Check the flag for Fortran90 preprocessing
86   ACX_PROG_F90_PREPFLAG
87 + dnl Check to see if a flag is required for preprocessing defines
88   ACX_PROG_F90_PREPDEFFLAG
89 + AC_LANG_PUSH(Fortran 90)
90 + AC_LANG_PREPROC(Fortran 90)
91 + AC_F90_LIBRARY_LDFLAGS
92 + dnl How does Fortran mangle function names
93 + AC_F90_WRAPPERS
94 + AC_SUBST(F90_FUNC)
95 + AC_SUBST(F90_FUNC_)
96 + dnl Fortran 90 module suffix
97 + AC_CHECK_MODSUFFIX
98 + dnl Fortran 90 module path specifier
99 + AC_CHECK_MODDIRFLAG
100  
101 + dnl check for strong optimization options
102 +
103   case $debug in
104    1)
105       ;;
# Line 59 | Line 123 | AC_LANG_PUSH(Fortran 90)
123    exit 1
124   fi
125  
62 – AC_LANG_PUSH(Fortran 90)
63 – AC_LANG_PREPROC(Fortran 90)
64 – AC_F90_LIBRARY_LDFLAGS
65 – dnl how Fortran mangles function names
66 – AC_F90_WRAPPERS
67 – AC_SUBST(F90_FUNC)
68 – AC_SUBST(F90_FUNC_)
126  
127 < AC_MSG_CHECKING([for mpi-directory])
128 < AC_ARG_WITH(mpi_dir,
129 <              [  --with-mpi_dir=MPIDIR   give the path for MPI [/usr/local]],
130 <                MPI_DIR="$withval", MPI_DIR="/usr/local")
131 < AC_MSG_RESULT([$MPI_DIR])
75 < AC_SUBST([mpi_dir])
127 > AC_ARG_WITH(mpi,
128 >        [AC_HELP_STRING([--with-mpi=<prefix>],
129 >                [compile with MPI libraries in <prefix> [default=no]])],
130 >        with_mpi=$withval,
131 >        with_mpi="no")
132  
133 < AC_MSG_CHECKING([for mpi-lib-directory])
134 < AC_ARG_WITH(mpi_libdir,
135 <              [  --with-mpi-libdir=dir  give the path for MPI-libraries [MPI_DIR/lib]],
136 <                MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib")
81 < AC_MSG_RESULT([$MPI_LIBDIR])
82 < AC_SUBST([MPI_LIBDIR])
83 <
84 < AC_MSG_CHECKING([for mpi-inc-directory])
85 < AC_ARG_WITH(mpi_inc,
86 <              [  --with-mpi_inc=dir  give the path for MPI-include-files [MPI_DIR/include]],
87 <                MPI_INC="$withval", MPI_INC="$MPI_DIR/include")
88 < AC_MSG_RESULT([$MPI_INC])
89 < AC_SUBST([MPI_INC])
90 <
91 <
92 < AC_MSG_CHECKING([for MPI library])
93 < MPI_LIB=""
94 < case "$host" in
95 <  *-ibm-aix*)                dnl IBM/SP2 machines
96 <    dnl checking whether to use signal-based MPI
97 <
98 <    AC_MSG_CHECKING([whether to use signal-based MPI library])
99 <    AC_MSG_RESULT([$PACX_SIGNAL])
100 <    if test "x$PACX_SIGNAL" = "xyes" ; then
101 <      if test -f "$MPI_LIBDIR/libmpi.a" ; then
102 <        MPI_LIB="-lmpi"
103 <      elif test -f "$MPI_LIBDIR/libmpi.so" ; then
104 <        MPI_LIB="-lmpi"
105 <      elif test -f "$MPI_LIBDIR/libmpich.a" ; then
106 <        MPI_LIB="-lmpich"
107 <      else
108 <        AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...])
109 <      fi
110 <    else
111 <      if test -f "$MPI_LIBDIR/libmpi_r.a" ; then
112 <         MPI_LIB="-lmpi_r"
113 <      else
114 <         AC_MSG_ERROR([libmpi_r not found; check path for MPI package...])
115 <      fi
116 <    fi
117 <    AC_MSG_RESULT(found $MPI_LIB)
118 <  ;;
119 <  *)                         dnl All other machines
120 <    if test -f "$MPI_LIBDIR/libmpi.a" ; then
121 <      MPI_LIB="-lmpi"
122 <    elif test -f "$MPI_LIBDIR/libmpi.so" ; then
123 <      MPI_LIB="-lmpi"
124 <    elif test -f "$MPI_LIBDIR/libmpich.a" ; then
125 <      MPI_LIB="-lmpich"
126 <    else
127 <      AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...])
128 <    fi
129 <    AC_MSG_RESULT(found $MPI_LIB)
130 <  ;;
133 > case "x$with_mpi" in
134 >        xyes | "x")  USE_MPI=yes;;
135 >        xno) USE_MPI=no ;;
136 >        *) MPI="$with_mpi"; USE_MPI=yes ;;
137   esac
138 < AC_SUBST(MPI_LIB)
138 > if test "$USE_MPI" = "yes" -a -z "$with_mpi"; then
139 >        MPI="/usr/local"
140 > fi
141 > if test "$USE_MPI" = "yes"; then
142 >        echo "MPI = $MPI"
143 >        ACX_MPI
144 > fi
145 > AC_SUBST(USE_MPI)
146  
134 – ACX_MPI
147  
148   AM_PATH_SPRNG
149   CHECK_MKL
138 – AC_CHECK_MPI_F90MOD
150  
151 +
152   AC_EXEEXT
153   AC_OBJEXT
154   OBJEXT=".$OBJEXT"
# Line 162 | Line 174 | SUBDIRS="libBASS libmdtools src forceFields samples ut
174   MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
175  
176   dnl **** Final list of subdirs
177 < SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps"
177 > SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party "
178  
179   dnl **** Define CFLAGS etc empty to prevent configure from setting them
180   CFLAGS=${CFLAGS-""}
# Line 175 | Line 187 | case $debug in
187  
188   case $debug in
189    1)
178 –     CFLAGS="$DEBUG $CFLAGS"
179 –     CXXFLAGS="$DEBUG $CXXFLAGS"
190       FFLAGS="$DEBUG $FFLAGS"
191       F90FLAGS="$DEBUG $F90FLAGS"
192       ;;
# Line 200 | Line 210 | AC_CONFIG_HEADER([libmdtools/config.h])
210   AC_SUBST(LDFLAGS)
211   AC_SUBST(PREPFLAG)
212   AC_SUBST(PREPDEFFLAG)
213 < AC_CONFIG_HEADER([libmdtools/config.h])
213 > AC_CONFIG_HEADER([libBASS/config.h libmdtools/config.h])
214   AC_CONFIG_FILES([Makefile
215          libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile
216          utils/sysbuilder/Makefile  forceFields/Makefile samples/Makefile
217          staticProps/Makefile
218 +        third-party/Makefile
219          samples/alkane/Makefile samples/argon/Makefile
220          samples/beadLipid/Makefile samples/lipid/Makefile
221          samples/metals/Makefile samples/water/Makefile

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