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root/group/trunk/OOPSE/ac-tools/configure.in
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Comparing:
branches/mmeineke/OOPSE/ac-tools/configure.in (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/ac-tools/configure.in (file contents), Revision 747 by gezelter, Fri Sep 5 21:28:52 2003 UTC

# Line 1 | Line 1
1   dnl **** Process this file with autoconf to produce a configure script.
2  
3 < AC_INIT(src/oopse.cpp)
3 > AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse)
4   AC_CONFIG_AUX_DIR(ac-tools)
5  
6 < AC_CONFIG_HEADER(config.h:ac-tools/config.h.in)
7 <
8 < AC_PREFIX_DEFAULT("/usr/local")
9 <
6 > builtin(include, ac-tools/fortran90.m4)
7   builtin(include, ac-tools/aclocal.m4)
8  
12 dnl Checks for C compiler
13 AC_PROG_RANLIB
14 AC_PROG_YACC
15 AC_PROG_LEX
9  
10 < AC_SUBST(EXEEXT)
18 < AC_SUBST(OBJEXT)
19 < AC_SUBST(BATEXT)
10 > AC_CONFIG_SRCDIR([src/oopse.cpp])
11  
12 < AC_SUBST(MKINSTALLDIRS)
12 > AC_PREFIX_DEFAULT("/usr/local")
13  
14 < AC_SUBST(OOPSE)
24 < AC_SUBST(OOPSE_HOME)
25 < AC_SUBST(sprng_libdir)
26 < AC_SUBST(mpich_libdir)
27 < AC_SUBST(sprng_include)
28 < AC_SUBST(mpich_include)
29 < AC_SUBST(mpi_f90_mods)
30 < AC_SUBST(SUBDIRS)
14 > # what should I build?
15  
16 < OOPSE=oopse
16 > AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [DEBUG=1])
17  
18 < dnl **** define home dir of oopse
19 < if test "x${prefix}" = "xNONE"
20 < then
21 <  OOPSE_HOME=${ac_default_prefix}/oopse
22 < else
23 <  OOPSE_HOME=${prefix}/oopse
18 > # set program name
19 > PROGNAME="oopse"
20 > AC_SUBST(PROGNAME)
21 >
22 > if test "${DEBUG}"; then
23 >        AC_DEFINE(DEBUG, 1, [Code compiled in debug mode])
24 >  msg="$msg, debug mode"
25   fi
26 < AC_ARG_ENABLE(oopse-home,
42 < [  --enable-oopse-home=DIR      define oopse home dir [PREFIX/oopse]],
43 < [OOPSE_HOME="${enableval}"])
26 > AC_SUBST(DEBUG)
27  
28 < dnl **** define C compiler
29 < CC=${CC-icc}
47 < AC_ARG_WITH(cc,
48 < [  --with-cc=PROG               use PROG as C compiler [${CC-icc}]],
49 < [CC="${withval}"])
50 < AC_PROG_CC([icc gcc cc])
28 > # who am i
29 > AC_CANONICAL_HOST
30  
31 < dnl **** define C compiler
32 < CXX=${CXX-icc}
33 < AC_ARG_WITH(cxx,
34 < [  --with-cxx=PROG               use PROG as C++ compiler [${CXX-icc}]],
35 < [CXX="${withval}"])
36 < AC_PROG_CXX([icc g++ c++])
31 > 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 "$AR" = "NONE"; then
48 >  AC_MSG_ERROR(--> Can't find \`ar'!)
49 >  AC_CACHE_SAVE
50 >  exit 1
51 > fi
52  
53 < dnl **** define Fortran compiler
54 < F77=${F77-ifc}
55 < AC_ARG_WITH(f77,
56 < [  --with-f77=PROG              use PROG as Fortran compiler [${F77-ifc}]],
57 < [F77="${withval}"])
58 < AC_PROG_F77([ifc f90])
53 > 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  
61 < dnl **** check if user wants to compile with debugging support
62 < AC_ARG_ENABLE(debug,
63 < [  --enable-debug               turn on debugging [no]],
64 < [case "${enableval}" in
65 <  yes) debug=true ;;
66 <  no)  debug=false ;;
72 <  *) AC_MSG_ERROR(bad value ${enableval} for --enable-debug) ;;
73 < esac],[debug=false])
61 > AC_MSG_CHECKING([for mpi-directory])
62 > AC_ARG_WITH(MPI_DIR,
63 >              [  --with-mpi-dir=MPIDIR   give the path for MPI [/usr/local]],
64 >                MPI_DIR="$withval", MPI_DIR="/usr/local")
65 > AC_MSG_RESULT([$MPI_DIR])
66 > AC_SUBST([MPI_DIR])
67  
68 + AC_MSG_CHECKING([for mpi-lib-directory])
69 + AC_ARG_WITH(MPI_LIBDIR,
70 +              [  --with-mpi-lib-dir=dir  give the path for MPI-libraries [MPI_DIR/lib]],
71 +                MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib")
72 + AC_MSG_RESULT([$MPI_LIBDIR])
73 + AC_SUBST([MPI_LIBDIR])
74  
75 < dnl **** Define CFLAGS etc empty to prevent configure from setting them
76 < CFLAGS=${CFLAGS-""}
77 < FFLAGS=${FFLAGS-""}
78 < LDFLAGS=${LDFLAGS-""}
79 < OPTIMIZE=${OPTIMIZE-""}
80 < DEBUG=${DEBUG-""}
75 > AC_MSG_CHECKING([for mpi-inc-directory])
76 > AC_ARG_WITH(MPI_INC,
77 >              [  --with-mpi-inc-dir=dir  give the path for MPI-include-files [MPI_DIR/include]],
78 >                MPI_INC="$withval", MPI_INC="$MPI_DIR/include")
79 > AC_MSG_RESULT([$MPI_INC])
80 > AC_SUBST([MPI_INC])
81  
82  
83 < dnl **** Check for host type
84 < AC_CANONICAL_HOST
83 > AC_MSG_CHECKING([for MPI library])
84 > MPI_LIB=""
85 > case "$host" in
86 >  *-ibm-aix*)                dnl IBM/SP2 machines
87 >    dnl checking whether to use signal-based MPI
88  
89 +    AC_MSG_CHECKING([whether to use signal-based MPI library])
90 +    AC_MSG_RESULT([$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 $MPI_LIB)
121 +  ;;
122 + esac
123 + AC_SUBST(MPI_LIB)
124  
125 < if test "x${CFLAGS}" = "x"
89 < then
90 <  if test "x${GCC}" = "xyes"
91 <  then
92 <    dnl **** default settings for gcc
93 <    DEBUG="-g -O2"
94 <    OPTIMIZE="-O2"
95 <    CFLAGS="-fno-common -Wall -pedantic -Wpointer-arith -Wnested-externs"
125 > ACX_MPI
126  
127 <    dnl **** check for strength-reduce bug
128 <    ACX_GCC_STRENGTH_REDUCE(CFLAGS="$CFLAGS -fno-strength-reduce")
127 > AM_PATH_SPRNG
128 > CHECK_MKL
129 > AC_CHECK_MPI_F90MOD
130  
131 <    dnl **** some arch-specific optimizations/settings for gcc
132 <    case "${host}" in
133 <      i486-*) CPU_FLAGS="-m486";;
103 <      i586-*) ACX_CHECK_CC_FLAGS(-mcpu=pentium,cpu_pentium,
104 <                 [CPU_FLAGS=-mcpu=pentium],
105 <                 [ACX_CHECK_CC_FLAGS(-mpentium,pentium,
106 <                         [CPU_FLAGS=-mpentium], [CPU_FLAGS=-m486])])
107 <              ;;
108 <      i686-*) ACX_CHECK_CC_FLAGS(-mcpu=pentiumpro,cpu_pentiumpro,
109 <                 [CPU_FLAGS=-mcpu=pentiumpro],
110 <                 [ACX_CHECK_CC_FLAGS(-mpentiumpro,pentiumpro,
111 <                         [CPU_FLAGS=-mpentiumpro], [CPU_FLAGS=-m486])])
112 <              ;;
113 <    esac
114 <
115 <    CFLAGS="$CPU_FLAGS $CFLAGS"
116 <  else
117 <    case "${host}" in
118 <      alpha*-dec-osf4.*)
119 <        CFLAGS="-std1 -w0"
120 <        OPTIMIZE="-O2"
121 <        DEBUG="-g3 -O2"
122 <        ;;
123 <      hppa*-hp-hpux*)
124 <        CFLAGS="-Aa -D_HPUX_SOURCE"
125 <        OPTIMIZE="-O"
126 <        DEBUG="-g -O"
127 <        ;;
128 <      mips-sgi-irix6.[[4-9]]*)
129 <        CFLAGS="-w"
130 <        OPTIMIZE="-O2 -OPT:Olimit=0"
131 <        DEBUG="-g3 -O2 -OPT:Olimit=0"
132 <        ;;
133 <      mips-sgi-irix*)
134 <        CFLAGS="-fullwarn -woff 835"
135 <        OPTIMIZE="-O2 -Olimit 3500"
136 <        ;;
137 <      rs6000-ibm-aix*)
138 <        CFLAGS="-D_ALL_SOURCE"
139 <        OPTIMIZE="-O2"
140 <        DEBUG="-g -O2"
141 <        ;;
142 <      *)
143 <        CFLAGS=""
144 <        OPTIMIZE="-O"
145 <        DEBUG="-g"
146 <        ;;
147 <    esac
148 <  fi
149 < fi
150 <
151 < case $debug in
152 <  true) CFLAGS="$DEBUG $CFLAGS";;
153 <  *) CFLAGS="$OPTIMIZE $CFLAGS";;
131 > case $F90 in
132 >        ifc) fortran_machine_defs='Linux_ifc_machdep$(O)' ;;
133 >        *) fortran_machine_defs='' ;;
134   esac
135 + AC_SUBST([fortran_machine_defs])
136  
156 dnl **** .exe/.obj file extensions
137   AC_EXEEXT
138   AC_OBJEXT
159
139   OBJEXT=".$OBJEXT"
140  
141 < AC_PROG_MAKE_SET
141 > OOPSE=oopse
142  
143 < dnl **** Checks for programs.
144 < AC_CHECK_PROG(AR, ar, ar, NONE)
145 < if test "$AR" = "NONE"; then
146 <  AC_MSG_ERROR(--> Can't find \`ar'!)
168 <  AC_CACHE_SAVE
169 <  exit 1
170 < fi
171 <
172 < AC_F77_LIBRARY_LDFLAGS
173 <
174 < case $F77 in
175 <        ifc) fortran_machine_defs='Linux_ifc_machdep.$(O)' flibs_extra='-lPEPCF90' ;;
176 <        *) echo $F77; AC_MSG_ERROR([currently only ifc is supported as the fortran compiler. See README for details]) ;;
177 < esac
178 < AC_SUBST([fortran_machine_defs])
179 < AC_SUBST([flibs_extra])
180 <
181 < AC_ARG_WITH(mpi_f90_mods,
182 < [  --with-mpi_f90_mods=<dir>      specify the location of the MPI F90
183 <                                modules (default is
184 <                                /usr/local/include/f90choice],
185 <    [mpi_f90_mods="${withval}"],
186 <    [mpi_f90_mods="/usr/local/include/f90choice"] )
187 < AC_SUBST(mpi_f90_mods)
188 < if test -r $mpi_f90_mods/MPI.mod; then
189 <  AC_DEFINE(USE_MPI_F90_MODS, 1, [define whether we have the MPI f90 modules])
143 > dnl **** define home dir of oopse
144 > if test "x${prefix}" = "xNONE"
145 > then
146 >  OOPSE_HOME=${ac_default_prefix}/oopse
147   else
148 <  AC_MSG_ERROR(--> Can't find MPI f90 modules!)
192 <  AC_CACHE_SAVE
193 <  exit 1
148 >  OOPSE_HOME=${prefix}/oopse
149   fi
150 + AC_ARG_ENABLE(oopse-home,
151 + [  --enable-oopse-home=DIR      define oopse home dir [PREFIX/oopse]],
152 + [OOPSE_HOME="${enableval}"])
153  
196 AC_ARG_WITH(sprng_include,
197 [  --with-sprng_include=<include dir>    specify the location of the sprng
198                                         headers (default is
199                                         /usr/local/include/sprng)],
200        [sprng_include="$withval"],
201        [sprng_include="/usr/local/include/sprng"] )
202 AC_SUBST(sprng_include)
203 AC_CHECK_HEADERS([$sprng_include/sprng.h],
204                 AC_DEFINE(USE_SPRNG, 1, [define whether we have the sprng libraries]),
205                 AC_MSG_ERROR(sprng header files not found.))
206                
207 AC_ARG_WITH(sprng_libdir,
208 [  --with-sprng_libdir=<library dir>    specify the location of the sprng
209                                        libraries (default is
210                                        /usr/local/lib)],
211        [sprng_libdir="$withval"],
212        [sprng_libdir="/usr/local/lib"] )
213 AC_SUBST(sprng_libdir)
214 AC_CHECK_FILE([$sprng_libdir/libsprng.a],,
215                 AC_MSG_ERROR(libsprng.a not found.))
216
217 AC_ARG_WITH(mpich_include,
218 [  --with-mpich_include=<include dir>    specify the location of the mpich
219                                         headers (default is
220                                         /usr/local/include)],
221        [mpich_include="$withval"],
222        [mpich_include="/usr/local/include"] )
223 AC_SUBST(mpich_include)
224 AC_CHECK_HEADERS([$mpich_include/mpi.h],
225                 AC_DEFINE(HAVE_MPICH, 1, [define whether we have the mpich libraries]),
226                 AC_MSG_ERROR(mpich header files not found.))
227                
228 AC_ARG_WITH(mpich_libdir,
229 [ --with-mpich_libdir=<library dir>    specify the location of the mpich
230                                       libraries (default is /usr/local/lib)],
231        [mpich_libdir="$withval"],
232        [mpich_libdir="/usr/local/lib"] )
233 AC_SUBST(mpich_libdir)
234 AC_CHECK_FILE([$mpich_libdir/libmpich.a],,
235                 AC_MSG_ERROR(libmpi.a not found.))
236
237
238 AC_PROG_INSTALL
154   case "x$INSTALL" in
155     x/*) ;;
156     *) INSTALL=`pwd`/ac-tools/"shtool install -c" ;
# Line 244 | Line 159 | SUBDIRS="libBASS libmdtools src forceFields"
159   MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
160  
161   dnl **** Final list of subdirs
162 < SUBDIRS="libBASS libmdtools src forceFields"
162 > SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder"
163  
164 < dnl **** Create Make.conf
165 < AC_OUTPUT(Make.conf:ac-tools/Make.conf.in)
164 > 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

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