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")

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

# there are two ways to do debugging.  One with the --enable-debug flag
# and one using the DEBUG environment variable

debug=0
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1])
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 C compiler
AC_PROG_CC([icc xlc gcc cc])

dnl Checks for C++ compiler
AC_PROG_CXX([icpc icc 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([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
dnl Check the flag for Fortran90 preprocessing
dnl 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) 
     ;;
  *) 
   ACX_PROG_CC_MAXOPT
   ACX_PROG_CXX_MAXOPT
   ACX_PROG_F90_MAXOPT
     ;;
esac

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_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-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/libmpich.a" ; then
      MPI_LIB="-lmpich"
    elif test -f "$MPI_LIBDIR/libmpi.so" ; then
      MPI_LIB="-lmpi"
    elif test -f "$MPI_LIBDIR/libmpi.a" ; then
      MPI_LIB="-lmpi"
    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

AC_CHECK_MPI_F90MOD

if test "$HAVE_MPI_MOD" = 1; then
        AC_DEFINE(MPI_MOD, 1, [have mpi module])
else
        AC_LANG([Fortran 90]) 
        AC_CHECK_HEADERS(mpif.h)
        AC_LANG_RESTORE()
        AC_DEFINE(MPI_H, 1, [have mpi Fortran header file])
fi

AM_PATH_SPRNG
CHECK_MKL


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 staticProps third-party"

dnl **** Define CFLAGS etc empty to prevent configure from setting them
CFLAGS=${CFLAGS-""}
CXXFLAGS=${CXXFLAGS-""}
CPPFLAGS=${CPPFLAGS-""}
FFLAGS=${FFLAGS-""}
F90FLAGS=${F90FLAGS-""}
LDFLAGS=${LDFLAGS-""}
DEBUG=${DEBUG-"-g"}

case $debug in
  1) 
     FFLAGS="$DEBUG $FFLAGS"
     F90FLAGS="$DEBUG $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
        staticProps/Makefile
        third-party/Makefile
        samples/alkane/Makefile samples/argon/Makefile
        samples/beadLipid/Makefile samples/lipid/Makefile
        samples/metals/Makefile samples/water/Makefile
])

AC_OUTPUT
Revision:	896
Committed:	Mon Jan 5 22:18:40 2004 UTC (20 years, 6 months ago) by chuckv
File size:	7059 byte(s)
Log Message:	mpich mucking
#	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	# set program name
15			PROGNAME="oopse"
16			AC_SUBST(PROGNAME)
17
18	gezelter	822	# there are two ways to do debugging. One with the --enable-debug flag
19			# and one using the DEBUG environment variable
20
21			debug=0
22			AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1])
23	gezelter	747	if test "${DEBUG}"; then
24	gezelter	822	AC_DEFINE(debug, 1, [Code compiled in debug mode])
25	gezelter	747	msg="$msg, debug mode"
26	mmeineke	377	fi
27	gezelter	822	AC_SUBST(debug)
28	mmeineke	377
29	gezelter	747	# who am i
30			AC_CANONICAL_HOST
31	mmeineke	377
32	gezelter	840	dnl Checks for C compiler
33	gezelter	747	AC_PROG_CC([icc xlc gcc cc])
34	gezelter	840
35			dnl Checks for C++ compiler
36	gezelter	816	AC_PROG_CXX([icpc icc xlC CC g++ c++])
37	gezelter	840	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	chuckv	896
73
74	gezelter	840	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	gezelter	747	AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
85	gezelter	840	dnl Check the flag for Fortran90 preprocessing
86	chuckv	896	dnl ACX_PROG_F90_PREPFLAG
87	gezelter	840	dnl Check to see if a flag is required for preprocessing defines
88	gezelter	747	ACX_PROG_F90_PREPDEFFLAG
89	gezelter	840	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	gezelter	822
101	gezelter	840	dnl check for strong optimization options
102
103	gezelter	822	case $debug in
104			1)
105			;;
106			*)
107			ACX_PROG_CC_MAXOPT
108			ACX_PROG_CXX_MAXOPT
109			ACX_PROG_F90_MAXOPT
110			;;
111			esac
112
113	gezelter	747	AC_PROG_INSTALL
114			AC_PROG_LN_S
115			AC_PROG_MAKE_SET
116			AC_PROG_RANLIB
117			AC_PROG_YACC
118			AC_PROG_LEX
119			AC_CHECK_PROG(AR, ar, ar, NONE)
120			if test "$AR" = "NONE"; then
121			AC_MSG_ERROR(--> Can't find \`ar'!)
122			AC_CACHE_SAVE
123			exit 1
124			fi
125	mmeineke	377
126	gezelter	747	AC_MSG_CHECKING([for mpi-directory])
127	gezelter	786	AC_ARG_WITH(mpi_dir,
128			[ --with-mpi_dir=MPIDIR give the path for MPI [/usr/local]],
129	gezelter	747	MPI_DIR="$withval", MPI_DIR="/usr/local")
130			AC_MSG_RESULT([$MPI_DIR])
131	gezelter	786	AC_SUBST([mpi_dir])
132	mmeineke	377
133	gezelter	747	AC_MSG_CHECKING([for mpi-lib-directory])
134	gezelter	786	AC_ARG_WITH(mpi_libdir,
135			[ --with-mpi-libdir=dir give the path for MPI-libraries [MPI_DIR/lib]],
136	gezelter	747	MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib")
137			AC_MSG_RESULT([$MPI_LIBDIR])
138			AC_SUBST([MPI_LIBDIR])
139	mmeineke	377
140	gezelter	747	AC_MSG_CHECKING([for mpi-inc-directory])
141	gezelter	786	AC_ARG_WITH(mpi_inc,
142			[ --with-mpi_inc=dir give the path for MPI-include-files [MPI_DIR/include]],
143	gezelter	747	MPI_INC="$withval", MPI_INC="$MPI_DIR/include")
144			AC_MSG_RESULT([$MPI_INC])
145			AC_SUBST([MPI_INC])
146	mmeineke	377
147
148	gezelter	747	AC_MSG_CHECKING([for MPI library])
149			MPI_LIB=""
150			case "$host" in
151			-ibm-aix) dnl IBM/SP2 machines
152			dnl checking whether to use signal-based MPI
153	mmeineke	377
154	gezelter	747	AC_MSG_CHECKING([whether to use signal-based MPI library])
155			AC_MSG_RESULT([$PACX_SIGNAL])
156			if test "x$PACX_SIGNAL" = "xyes" ; then
157			if test -f "$MPI_LIBDIR/libmpi.a" ; then
158			MPI_LIB="-lmpi"
159			elif test -f "$MPI_LIBDIR/libmpi.so" ; then
160			MPI_LIB="-lmpi"
161			elif test -f "$MPI_LIBDIR/libmpich.a" ; then
162			MPI_LIB="-lmpich"
163			else
164			AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...])
165			fi
166			else
167			if test -f "$MPI_LIBDIR/libmpi_r.a" ; then
168			MPI_LIB="-lmpi_r"
169			else
170			AC_MSG_ERROR([libmpi_r not found; check path for MPI package...])
171			fi
172			fi
173			AC_MSG_RESULT(found $MPI_LIB)
174			;;
175			*) dnl All other machines
176	chuckv	896	if test -f "$MPI_LIBDIR/libmpich.a" ; then
177			MPI_LIB="-lmpich"
178	gezelter	747	elif test -f "$MPI_LIBDIR/libmpi.so" ; then
179			MPI_LIB="-lmpi"
180	chuckv	896	elif test -f "$MPI_LIBDIR/libmpi.a" ; then
181			MPI_LIB="-lmpi"
182	gezelter	747	else
183			AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...])
184			fi
185			AC_MSG_RESULT(found $MPI_LIB)
186			;;
187			esac
188			AC_SUBST(MPI_LIB)
189	mmeineke	377
190	gezelter	747	ACX_MPI
191	mmeineke	377
192	gezelter	878	AC_CHECK_MPI_F90MOD
193
194			if test "$HAVE_MPI_MOD" = 1; then
195			AC_DEFINE(MPI_MOD, 1, [have mpi module])
196			else
197			AC_LANG([Fortran 90])
198			AC_CHECK_HEADERS(mpif.h)
199			AC_LANG_RESTORE()
200			AC_DEFINE(MPI_H, 1, [have mpi Fortran header file])
201			fi
202
203	gezelter	747	AM_PATH_SPRNG
204			CHECK_MKL
205	gezelter	826
206	mmeineke	377
207			AC_EXEEXT
208			AC_OBJEXT
209			OBJEXT=".$OBJEXT"
210
211	gezelter	747	OOPSE=oopse
212	mmeineke	377
213	gezelter	747	dnl **** define home dir of oopse
214			if test "x${prefix}" = "xNONE"
215			then
216			OOPSE_HOME=${ac_default_prefix}/oopse
217	mmeineke	377	else
218	gezelter	747	OOPSE_HOME=${prefix}/oopse
219	mmeineke	377	fi
220	gezelter	747	AC_ARG_ENABLE(oopse-home,
221			[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]],
222			[OOPSE_HOME="${enableval}"])
223	mmeineke	377
224			case "x$INSTALL" in
225			x/*) ;;
226			*) INSTALL=`pwd`/ac-tools/"shtool install -c" ;
227			esac
228
229			MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
230
231			dnl **** Final list of subdirs
232	chuckv	894	SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party"
233	mmeineke	377
234	gezelter	747	dnl **** Define CFLAGS etc empty to prevent configure from setting them
235	mmeineke	794	CFLAGS=${CFLAGS-""}
236			CXXFLAGS=${CXXFLAGS-""}
237			CPPFLAGS=${CPPFLAGS-""}
238			FFLAGS=${FFLAGS-""}
239			F90FLAGS=${F90FLAGS-""}
240			LDFLAGS=${LDFLAGS-""}
241			DEBUG=${DEBUG-"-g"}
242	gezelter	747
243			case $debug in
244	gezelter	822	1)
245	gezelter	747	FFLAGS="$DEBUG $FFLAGS"
246			F90FLAGS="$DEBUG $F90FLAGS"
247			;;
248			*)
249			;;
250			esac
251
252
253			AC_SUBST(EXEEXT)
254			AC_SUBST(OBJEXT)
255			AC_SUBST(BATEXT)
256			AC_SUBST(MKINSTALLDIRS)
257			AC_SUBST(OOPSE)
258			AC_SUBST(OOPSE_HOME)
259			AC_SUBST(SUBDIRS)
260			AC_SUBST(CFLAGS)
261			AC_SUBST(CXXFLAGS)
262			AC_SUBST(CPPFLAGS)
263			AC_SUBST(FFLAGS)
264			AC_SUBST(F90FLAGS)
265			AC_SUBST(LDFLAGS)
266			AC_SUBST(PREPFLAG)
267			AC_SUBST(PREPDEFFLAG)
268			AC_CONFIG_HEADER([libmdtools/config.h])
269			AC_CONFIG_FILES([Makefile
270			libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile
271			utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile
272	mmeineke	809	staticProps/Makefile
273	chuckv	894	third-party/Makefile
274	gezelter	747	samples/alkane/Makefile samples/argon/Makefile
275			samples/beadLipid/Makefile samples/lipid/Makefile
276			samples/metals/Makefile samples/water/Makefile
277			])
278
279			AC_OUTPUT