OOPSE/ac-tools/configure.in

dnl **** Process this file with autoconf to produce a configure script.

AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse)
AC_CONFIG_AUX_DIR(ac-tools)

builtin(include, ac-tools/fortran90.m4)
builtin(include, ac-tools/aclocal.m4)


AC_CONFIG_SRCDIR([src/oopse.cpp])

AC_PREFIX_DEFAULT("/usr/local")

# what should I build?

AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [DEBUG=1])

# set program name
PROGNAME="oopse"
AC_SUBST(PROGNAME)

if test "${DEBUG}"; then
        AC_DEFINE(DEBUG, 1, [Code compiled in debug mode])
  msg="$msg, debug mode"
fi
AC_SUBST(DEBUG)

# who am i
AC_CANONICAL_HOST

dnl Checks for programs.
AC_PROG_CC([icc xlc gcc cc])
ACX_PROG_CC_MAXOPT
AC_PROG_CXX([icpc icc xlC g++ c++])
ACX_PROG_CXX_MAXOPT
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
ACX_PROG_F90_MAXOPT
ACX_PROG_F90_PREPFLAG
ACX_PROG_F90_PREPDEFFLAG
AC_PROG_INSTALL
AC_PROG_LN_S
AC_PROG_MAKE_SET
AC_PROG_RANLIB
AC_PROG_YACC
AC_PROG_LEX
AC_CHECK_PROG(AR, ar, ar, NONE)
if test "$AR" = "NONE"; then
  AC_MSG_ERROR(--> Can't find \`ar'!)
  AC_CACHE_SAVE
  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_MSG_CHECKING([for mpi-lib-directory])
AC_ARG_WITH(MPI_LIBDIR,
              [  --with-mpi-lib-dir=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=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)
  ;;
esac
AC_SUBST(MPI_LIB)

ACX_MPI

AM_PATH_SPRNG
CHECK_MKL
AC_CHECK_MPI_F90MOD

case $F90 in
        ifc) fortran_machine_defs='Linux_ifc_machdep$(O)' ;;
        *) fortran_machine_defs='' ;;
esac
AC_SUBST([fortran_machine_defs])

AC_EXEEXT
AC_OBJEXT
OBJEXT=".$OBJEXT"

OOPSE=oopse

dnl **** define home dir of oopse
if test "x${prefix}" = "xNONE"
then
  OOPSE_HOME=${ac_default_prefix}/oopse
else
  OOPSE_HOME=${prefix}/oopse
fi
AC_ARG_ENABLE(oopse-home,
[  --enable-oopse-home=DIR      define oopse home dir [PREFIX/oopse]],
[OOPSE_HOME="${enableval}"])

case "x$INSTALL" in
   x/*) ;;
   *) INSTALL=`pwd`/ac-tools/"shtool install -c" ;
esac

MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"

dnl **** Final list of subdirs
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder"

dnl **** Define CFLAGS etc empty to prevent configure from setting them
#CFLAGS=${CFLAGS-""}
#CXXFLAGS=${CXXFLAGS-""}
#CPPFLAGS=${CPPFLAGS-""}
#FFLAGS=${FFLAGS-""}
#LDFLAGS=${LDFLAGS-""}
#OPTIMIZE=${OPTIMIZE-"-O"}
#DEBUG=${DEBUG-"-g"}

case $debug in
  true) 
     CFLAGS="$DEBUG $CFLAGS"
     CXXFLAGS="$DEBUG $CXXFLAGS"
     FFLAGS="$DEBUG $FFLAGS"
     F90FLAGS="$DEBUG $F90FLAGS"
     ;;
  *) 
     CFLAGS="$OPTIMIZE $CFLAGS"
     CXXFLAGS="$OPTIMIZE $CXXFLAGS"
     FFLAGS="$OPTIMIZE $FFLAGS"
     F90FLAGS="$OPTIMIZE $F90FLAGS"
     ;;
esac


AC_SUBST(EXEEXT)
AC_SUBST(OBJEXT)
AC_SUBST(BATEXT)
AC_SUBST(MKINSTALLDIRS)
AC_SUBST(OOPSE)
AC_SUBST(OOPSE_HOME)
AC_SUBST(SUBDIRS)
AC_SUBST(CFLAGS)
AC_SUBST(CXXFLAGS)
AC_SUBST(CPPFLAGS)
AC_SUBST(FFLAGS)
AC_SUBST(F90FLAGS)
AC_SUBST(LDFLAGS)
AC_SUBST(PREPFLAG)
AC_SUBST(PREPDEFFLAG)
AC_CONFIG_HEADER([libmdtools/config.h])
AC_CONFIG_FILES([Makefile
        libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile
        utils/sysbuilder/Makefile  forceFields/Makefile samples/Makefile
        samples/alkane/Makefile samples/argon/Makefile
        samples/beadLipid/Makefile samples/lipid/Makefile
        samples/metals/Makefile samples/water/Makefile
])

AC_OUTPUT
Revision:	747
Committed:	Fri Sep 5 21:28:52 2003 UTC (20 years, 10 months ago) by gezelter
File size:	5280 byte(s)
Log Message:	Changes to autoconf / configure method of configuring OOPSE
#	User	Rev	Content
1	mmeineke	377	dnl **** Process this file with autoconf to produce a configure script.
2
3	gezelter	747	AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse)
4	mmeineke	377	AC_CONFIG_AUX_DIR(ac-tools)
5
6	gezelter	747	builtin(include, ac-tools/fortran90.m4)
7	mmeineke	377	builtin(include, ac-tools/aclocal.m4)
8
9
10	gezelter	747	AC_CONFIG_SRCDIR([src/oopse.cpp])
11	mmeineke	377
12	gezelter	747	AC_PREFIX_DEFAULT("/usr/local")
13	mmeineke	377
14	gezelter	747	# what should I build?
15	mmeineke	377
16	gezelter	747	AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [DEBUG=1])
17	mmeineke	377
18	gezelter	747	# set program name
19			PROGNAME="oopse"
20			AC_SUBST(PROGNAME)
21
22			if test "${DEBUG}"; then
23			AC_DEFINE(DEBUG, 1, [Code compiled in debug mode])
24			msg="$msg, debug mode"
25	mmeineke	377	fi
26	gezelter	747	AC_SUBST(DEBUG)
27	mmeineke	377
28	gezelter	747	# who am i
29			AC_CANONICAL_HOST
30	mmeineke	377
31	gezelter	747	dnl Checks for programs.
32			AC_PROG_CC([icc xlc gcc cc])
33			ACX_PROG_CC_MAXOPT
34			AC_PROG_CXX([icpc icc xlC g++ c++])
35			ACX_PROG_CXX_MAXOPT
36			AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
37			ACX_PROG_F90_MAXOPT
38			ACX_PROG_F90_PREPFLAG
39			ACX_PROG_F90_PREPDEFFLAG
40			AC_PROG_INSTALL
41			AC_PROG_LN_S
42			AC_PROG_MAKE_SET
43			AC_PROG_RANLIB
44			AC_PROG_YACC
45			AC_PROG_LEX
46			AC_CHECK_PROG(AR, ar, ar, NONE)
47			if test "$AR" = "NONE"; then
48			AC_MSG_ERROR(--> Can't find \`ar'!)
49			AC_CACHE_SAVE
50			exit 1
51			fi
52	mmeineke	377
53	gezelter	747	AC_LANG_PUSH(Fortran 90)
54			AC_LANG_PREPROC(Fortran 90)
55			AC_F90_LIBRARY_LDFLAGS
56			dnl how Fortran mangles function names
57			AC_F90_WRAPPERS
58			AC_SUBST(F90_FUNC)
59			AC_SUBST(F90_FUNC_)
60	mmeineke	377
61	gezelter	747	AC_MSG_CHECKING([for mpi-directory])
62			AC_ARG_WITH(MPI_DIR,
63			[ --with-mpi-dir=MPIDIR give the path for MPI [/usr/local]],
64			MPI_DIR="$withval", MPI_DIR="/usr/local")
65			AC_MSG_RESULT([$MPI_DIR])
66			AC_SUBST([MPI_DIR])
67	mmeineke	377
68	gezelter	747	AC_MSG_CHECKING([for mpi-lib-directory])
69			AC_ARG_WITH(MPI_LIBDIR,
70			[ --with-mpi-lib-dir=dir give the path for MPI-libraries [MPI_DIR/lib]],
71			MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib")
72			AC_MSG_RESULT([$MPI_LIBDIR])
73			AC_SUBST([MPI_LIBDIR])
74	mmeineke	377
75	gezelter	747	AC_MSG_CHECKING([for mpi-inc-directory])
76			AC_ARG_WITH(MPI_INC,
77			[ --with-mpi-inc-dir=dir give the path for MPI-include-files [MPI_DIR/include]],
78			MPI_INC="$withval", MPI_INC="$MPI_DIR/include")
79			AC_MSG_RESULT([$MPI_INC])
80			AC_SUBST([MPI_INC])
81	mmeineke	377
82
83	gezelter	747	AC_MSG_CHECKING([for MPI library])
84			MPI_LIB=""
85			case "$host" in
86			-ibm-aix) dnl IBM/SP2 machines
87			dnl checking whether to use signal-based MPI
88	mmeineke	377
89	gezelter	747	AC_MSG_CHECKING([whether to use signal-based MPI library])
90			AC_MSG_RESULT([$PACX_SIGNAL])
91			if test "x$PACX_SIGNAL" = "xyes" ; then
92			if test -f "$MPI_LIBDIR/libmpi.a" ; then
93			MPI_LIB="-lmpi"
94			elif test -f "$MPI_LIBDIR/libmpi.so" ; then
95			MPI_LIB="-lmpi"
96			elif test -f "$MPI_LIBDIR/libmpich.a" ; then
97			MPI_LIB="-lmpich"
98			else
99			AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...])
100			fi
101			else
102			if test -f "$MPI_LIBDIR/libmpi_r.a" ; then
103			MPI_LIB="-lmpi_r"
104			else
105			AC_MSG_ERROR([libmpi_r not found; check path for MPI package...])
106			fi
107			fi
108			AC_MSG_RESULT(found $MPI_LIB)
109			;;
110			*) dnl All other machines
111			if test -f "$MPI_LIBDIR/libmpi.a" ; then
112			MPI_LIB="-lmpi"
113			elif test -f "$MPI_LIBDIR/libmpi.so" ; then
114			MPI_LIB="-lmpi"
115			elif test -f "$MPI_LIBDIR/libmpich.a" ; then
116			MPI_LIB="-lmpich"
117			else
118			AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...])
119			fi
120			AC_MSG_RESULT(found $MPI_LIB)
121			;;
122			esac
123			AC_SUBST(MPI_LIB)
124	mmeineke	377
125	gezelter	747	ACX_MPI
126	mmeineke	377
127	gezelter	747	AM_PATH_SPRNG
128			CHECK_MKL
129			AC_CHECK_MPI_F90MOD
130	mmeineke	377
131	gezelter	747	case $F90 in
132			ifc) fortran_machine_defs='Linux_ifc_machdep$(O)' ;;
133			*) fortran_machine_defs='' ;;
134	mmeineke	377	esac
135	gezelter	747	AC_SUBST([fortran_machine_defs])
136	mmeineke	377
137			AC_EXEEXT
138			AC_OBJEXT
139			OBJEXT=".$OBJEXT"
140
141	gezelter	747	OOPSE=oopse
142	mmeineke	377
143	gezelter	747	dnl **** define home dir of oopse
144			if test "x${prefix}" = "xNONE"
145			then
146			OOPSE_HOME=${ac_default_prefix}/oopse
147	mmeineke	377	else
148	gezelter	747	OOPSE_HOME=${prefix}/oopse
149	mmeineke	377	fi
150	gezelter	747	AC_ARG_ENABLE(oopse-home,
151			[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]],
152			[OOPSE_HOME="${enableval}"])
153	mmeineke	377
154			case "x$INSTALL" in
155			x/*) ;;
156			*) INSTALL=`pwd`/ac-tools/"shtool install -c" ;
157			esac
158
159			MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
160
161			dnl **** Final list of subdirs
162	chuckv	679	SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder"
163	mmeineke	377
164	gezelter	747	dnl **** Define CFLAGS etc empty to prevent configure from setting them
165			#CFLAGS=${CFLAGS-""}
166			#CXXFLAGS=${CXXFLAGS-""}
167			#CPPFLAGS=${CPPFLAGS-""}
168			#FFLAGS=${FFLAGS-""}
169			#LDFLAGS=${LDFLAGS-""}
170			#OPTIMIZE=${OPTIMIZE-"-O"}
171			#DEBUG=${DEBUG-"-g"}
172
173			case $debug in
174			true)
175			CFLAGS="$DEBUG $CFLAGS"
176			CXXFLAGS="$DEBUG $CXXFLAGS"
177			FFLAGS="$DEBUG $FFLAGS"
178			F90FLAGS="$DEBUG $F90FLAGS"
179			;;
180			*)
181			CFLAGS="$OPTIMIZE $CFLAGS"
182			CXXFLAGS="$OPTIMIZE $CXXFLAGS"
183			FFLAGS="$OPTIMIZE $FFLAGS"
184			F90FLAGS="$OPTIMIZE $F90FLAGS"
185			;;
186			esac
187
188
189			AC_SUBST(EXEEXT)
190			AC_SUBST(OBJEXT)
191			AC_SUBST(BATEXT)
192			AC_SUBST(MKINSTALLDIRS)
193			AC_SUBST(OOPSE)
194			AC_SUBST(OOPSE_HOME)
195			AC_SUBST(SUBDIRS)
196			AC_SUBST(CFLAGS)
197			AC_SUBST(CXXFLAGS)
198			AC_SUBST(CPPFLAGS)
199			AC_SUBST(FFLAGS)
200			AC_SUBST(F90FLAGS)
201			AC_SUBST(LDFLAGS)
202			AC_SUBST(PREPFLAG)
203			AC_SUBST(PREPDEFFLAG)
204			AC_CONFIG_HEADER([libmdtools/config.h])
205			AC_CONFIG_FILES([Makefile
206			libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile
207			utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile
208			samples/alkane/Makefile samples/argon/Makefile
209			samples/beadLipid/Makefile samples/lipid/Makefile
210			samples/metals/Makefile samples/water/Makefile
211			])
212
213			AC_OUTPUT