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Comparing trunk/OOPSE/ac-tools/configure.in (file contents):
Revision 652 by chuckv, Thu Jul 24 21:22:12 2003 UTC vs.
Revision 785 by gezelter, Thu Sep 25 16:42:34 2003 UTC

# Line 1 | Line 1 | dnl **** Process this file with autoconf to produce a
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_PREFIX_DEFAULT("/usr/local")
7 <
6 > builtin(include, ac-tools/fortran90.m4)
7   builtin(include, ac-tools/aclocal.m4)
8  
10 – AC_PROG_RANLIB
11 – AC_PROG_LN_S
12 – AC_PROG_YACC
13 – AC_PROG_LEX
9  
10 < AC_SUBST(EXEEXT)
16 < AC_SUBST(OBJEXT)
17 < 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)
22 < AC_SUBST(OOPSE_HOME)
23 < AC_SUBST(sprng_libdir)
24 < AC_SUBST(mpich_libdir)
25 < AC_SUBST(sprng_include)
26 < AC_SUBST(mpich_include)
27 < AC_SUBST(mpi_f90_mods)
28 < 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="$msg, debug mode"
25   fi
26 < AC_ARG_ENABLE(oopse-home,
40 < [  --enable-oopse-home=DIR      define oopse home dir [PREFIX/oopse]],
41 < [OOPSE_HOME="${enableval}"])
26 > AC_SUBST(DEBUG)
27  
28 < dnl **** define C compiler
29 < CC=${CC-icc}
45 < AC_ARG_WITH(cc,
46 < [  --with-cc=PROG               use PROG as C compiler [${CC-icc}]],
47 < [CC="${withval}"])
48 < AC_PROG_CC([icc gcc cc])
28 > # who am i
29 > AC_CANONICAL_HOST
30  
31 < dnl **** define C compiler
32 < CXX=${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 ;;
70 <  *) AC_MSG_ERROR(bad value ${enableval} for --enable-debug) ;;
71 < esac],[debug=false])
61 > AC_MSG_CHECKING([for mpi-directory])
62 > AC_ARG_WITH(MPI_DIR,
63 >              [  --with-mpi-dir=MPIDIR   give the path for MPI [/usr/local]],
64 >                MPI_DIR="$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"
87 < then
88 <  if test "x${GCC}" = "xyes"
89 <  then
90 <    dnl **** default settings for gcc
91 <    DEBUG="-g -O2"
92 <    OPTIMIZE="-O2"
93 <    CFLAGS="-fno-common -Wall -pedantic -Wpointer-arith -Wnested-externs"
125 > ACX_MPI
126  
127 <    dnl **** check for strength-reduce bug
128 <    ACX_GCC_STRENGTH_REDUCE(CFLAGS="$CFLAGS -fno-strength-reduce")
127 > AM_PATH_SPRNG
128 > CHECK_MKL
129 > AC_CHECK_MPI_F90MOD
130  
98 –    dnl **** some arch-specific optimizations/settings for gcc
99 –    case "${host}" in
100 –      i486-*) CPU_FLAGS="-m486";;
101 –      i586-*) ACX_CHECK_CC_FLAGS(-mcpu=pentium,cpu_pentium,
102 –                 [CPU_FLAGS=-mcpu=pentium],
103 –                 [ACX_CHECK_CC_FLAGS(-mpentium,pentium,
104 –                         [CPU_FLAGS=-mpentium], [CPU_FLAGS=-m486])])
105 –              ;;
106 –      i686-*) ACX_CHECK_CC_FLAGS(-mcpu=pentiumpro,cpu_pentiumpro,
107 –                 [CPU_FLAGS=-mcpu=pentiumpro],
108 –                 [ACX_CHECK_CC_FLAGS(-mpentiumpro,pentiumpro,
109 –                         [CPU_FLAGS=-mpentiumpro], [CPU_FLAGS=-m486])])
110 –              ;;
111 –    esac
112 –
113 –    CFLAGS="$CPU_FLAGS $CFLAGS"
114 –  else
115 –    case "${host}" in
116 –      alpha*-dec-osf4.*)
117 –        CFLAGS="-std1 -w0"
118 –        OPTIMIZE="-O2"
119 –        DEBUG="-g3 -O2"
120 –        ;;
121 –      hppa*-hp-hpux*)
122 –        CFLAGS="-Aa -D_HPUX_SOURCE"
123 –        OPTIMIZE="-O"
124 –        DEBUG="-g -O"
125 –        ;;
126 –      mips-sgi-irix6.[[4-9]]*)
127 –        CFLAGS="-w"
128 –        OPTIMIZE="-O2 -OPT:Olimit=0"
129 –        DEBUG="-g3 -O2 -OPT:Olimit=0"
130 –        ;;
131 –      mips-sgi-irix*)
132 –        CFLAGS="-fullwarn -woff 835"
133 –        OPTIMIZE="-O2 -Olimit 3500"
134 –        ;;
135 –      rs6000-ibm-aix*)
136 –        CFLAGS="-D_ALL_SOURCE"
137 –        OPTIMIZE="-O2"
138 –        DEBUG="-g -O2"
139 –        ;;
140 –      *)
141 –        CFLAGS=""
142 –        OPTIMIZE="-O"
143 –        DEBUG="-g"
144 –        ;;
145 –    esac
146 –  fi
147 – fi
148 –
149 – case $debug in
150 –  true) CFLAGS="$DEBUG $CFLAGS";;
151 –  *) CFLAGS="$OPTIMIZE $CFLAGS";;
152 – esac
153 –
154 – dnl **** .exe/.obj file extensions
131   AC_EXEEXT
132   AC_OBJEXT
157 –
133   OBJEXT=".$OBJEXT"
134  
135 < AC_PROG_MAKE_SET
135 > OOPSE=oopse
136  
137 < dnl **** Checks for programs.
138 < AC_CHECK_PROG(AR, ar, ar, NONE)
139 < if test "$AR" = "NONE"; then
140 <  AC_MSG_ERROR(--> Can't find \`ar'!)
166 <  AC_CACHE_SAVE
167 <  exit 1
168 < fi
169 <
170 < AC_F77_LIBRARY_LDFLAGS
171 <
172 < case $F77 in
173 <        ifc) fortran_machine_defs='Linux_ifc_machdep$(O)' flibs_extra='-lPEPCF90' ;;
174 <        *) echo $F77; AC_MSG_ERROR([currently only ifc is supported as the fortran compiler. See README for details]) ;;
175 < esac
176 < AC_SUBST([fortran_machine_defs])
177 < AC_SUBST([flibs_extra])
178 <
179 < AC_ARG_WITH(mpi_f90_mods,
180 < [  --with-mpi_f90_mods=<dir>      specify the location of the MPI F90
181 <                                modules (default is
182 <                                /usr/local/include/f90choice],
183 <    [mpi_f90_mods="${withval}"],
184 <    [mpi_f90_mods="/usr/local/include/f90choice"] )
185 < AC_SUBST(mpi_f90_mods)
186 < if test -r $mpi_f90_mods/MPI.mod || test -r $mpi_f90_mods/mpi.mod; then
187 <  AC_DEFINE(USE_MPI_F90_MODS, 1, [define whether we have the MPI f90 modules])
137 > dnl **** define home dir of oopse
138 > if test "x${prefix}" = "xNONE"
139 > then
140 >  OOPSE_HOME=${ac_default_prefix}/oopse
141   else
142 <  AC_MSG_ERROR(--> Can't find MPI f90 modules!)
190 <  AC_CACHE_SAVE
191 <  exit 1
142 >  OOPSE_HOME=${prefix}/oopse
143   fi
144 + AC_ARG_ENABLE(oopse-home,
145 + [  --enable-oopse-home=DIR      define oopse home dir [PREFIX/oopse]],
146 + [OOPSE_HOME="${enableval}"])
147  
194 – AC_ARG_WITH(sprng_include,
195 – [  --with-sprng_include=<include dir>    specify the location of the sprng
196 –                                         headers (default is
197 –                                         /usr/local/include/sprng)],
198 –        [sprng_include="$withval"],
199 –        [sprng_include="/usr/local/include/sprng"] )
200 – AC_SUBST(sprng_include)
201 – AC_CHECK_HEADERS([$sprng_include/sprng.h],
202 –                 AC_DEFINE(USE_SPRNG, 1, [define whether we have the sprng libraries]),
203 –                 AC_MSG_ERROR(sprng header files not found.))
204 –                
205 – AC_ARG_WITH(sprng_libdir,
206 – [  --with-sprng_libdir=<library dir>    specify the location of the sprng
207 –                                        libraries (default is
208 –                                        /usr/local/lib)],
209 –        [sprng_libdir="$withval"],
210 –        [sprng_libdir="/usr/local/lib"] )
211 – AC_SUBST(sprng_libdir)
212 – AC_CHECK_FILE([$sprng_libdir/libsprng.a],,
213 –                 AC_MSG_ERROR(libsprng.a not found.))
214 –
215 – AC_ARG_WITH(mpich_include,
216 – [  --with-mpich_include=<include dir>    specify the location of the mpich
217 –                                         headers (default is
218 –                                         /usr/local/include)],
219 –        [mpich_include="$withval"],
220 –        [mpich_include="/usr/local/include"] )
221 – AC_SUBST(mpich_include)
222 – AC_CHECK_HEADERS([$mpich_include/mpi.h],
223 –                 AC_DEFINE(HAVE_MPICH, 1, [define whether we have the mpich libraries]),
224 –                 AC_MSG_ERROR(mpich header files not found.))
225 –                
226 – AC_ARG_WITH(mpich_libdir,
227 – [ --with-mpich_libdir=<library dir>    specify the location of the mpich
228 –                                       libraries (default is /usr/local/lib)],
229 –        [mpich_libdir="$withval"],
230 –        [mpich_libdir="/usr/local/lib"] )
231 – AC_SUBST(mpich_libdir)
232 – AC_CHECK_FILE([$mpich_libdir/libmpich.a],,
233 –                 AC_MSG_ERROR(libmpi.a not found.))
234 –
235 –
236 – AC_PROG_INSTALL
148   case "x$INSTALL" in
149     x/*) ;;
150     *) INSTALL=`pwd`/ac-tools/"shtool install -c" ;
# Line 242 | Line 153 | dnl **** Final list of subdirs
153   MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
154  
155   dnl **** Final list of subdirs
156 < SUBDIRS="libBASS libmdtools src forceFields samples utils"
156 > SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder"
157  
158 < dnl **** Create Make.conf
159 < AC_OUTPUT(Make.conf:ac-tools/Make.conf.in)
158 > dnl **** Define CFLAGS etc empty to prevent configure from setting them
159 > #CFLAGS=${CFLAGS-""}
160 > #CXXFLAGS=${CXXFLAGS-""}
161 > #CPPFLAGS=${CPPFLAGS-""}
162 > #FFLAGS=${FFLAGS-""}
163 > #LDFLAGS=${LDFLAGS-""}
164 > #OPTIMIZE=${OPTIMIZE-"-O"}
165 > #DEBUG=${DEBUG-"-g"}
166 >
167 > case $debug in
168 >  true)
169 >     CFLAGS="$DEBUG $CFLAGS"
170 >     CXXFLAGS="$DEBUG $CXXFLAGS"
171 >     FFLAGS="$DEBUG $FFLAGS"
172 >     F90FLAGS="$DEBUG $F90FLAGS"
173 >     ;;
174 >  *)
175 >     CFLAGS="$OPTIMIZE $CFLAGS"
176 >     CXXFLAGS="$OPTIMIZE $CXXFLAGS"
177 >     FFLAGS="$OPTIMIZE $FFLAGS"
178 >     F90FLAGS="$OPTIMIZE $F90FLAGS"
179 >     ;;
180 > esac
181 >
182 >
183 > AC_SUBST(EXEEXT)
184 > AC_SUBST(OBJEXT)
185 > AC_SUBST(BATEXT)
186 > AC_SUBST(MKINSTALLDIRS)
187 > AC_SUBST(OOPSE)
188 > AC_SUBST(OOPSE_HOME)
189 > AC_SUBST(SUBDIRS)
190 > AC_SUBST(CFLAGS)
191 > AC_SUBST(CXXFLAGS)
192 > AC_SUBST(CPPFLAGS)
193 > AC_SUBST(FFLAGS)
194 > AC_SUBST(F90FLAGS)
195 > AC_SUBST(LDFLAGS)
196 > AC_SUBST(PREPFLAG)
197 > AC_SUBST(PREPDEFFLAG)
198 > AC_CONFIG_HEADER([libmdtools/config.h])
199 > AC_CONFIG_FILES([Makefile
200 >        libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile
201 >        utils/sysbuilder/Makefile  forceFields/Makefile samples/Makefile
202 >        samples/alkane/Makefile samples/argon/Makefile
203 >        samples/beadLipid/Makefile samples/lipid/Makefile
204 >        samples/metals/Makefile samples/water/Makefile
205 > ])
206 >
207 > AC_OUTPUT

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