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Comparing trunk/OOPSE/ac-tools/configure.in (file contents):
Revision 378 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
Revision 822 by gezelter, Mon Oct 27 16:20:59 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)
15 < AC_SUBST(OOPSE_HOME)
16 < 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 > # set program name
15 > PROGNAME="oopse"
16 > AC_SUBST(PROGNAME)
17  
18 < OOPSE=oopse
18 > # there are two ways to do debugging.  One with the --enable-debug flag
19 > # and one using the DEBUG environment variable
20  
21 < dnl **** define home dir of oopse
22 < if test "x${prefix}" = "xNONE"
23 < then
24 <  OOPSE_HOME=${ac_default_prefix}/oopse
25 < else
39 <  OOPSE_HOME=${prefix}/oopse
21 > debug=0
22 > AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1])
23 > if test "${DEBUG}"; then
24 >        AC_DEFINE(debug, 1, [Code compiled in debug mode])
25 >  msg="$msg, debug mode"
26   fi
27 < AC_ARG_ENABLE(oopse-home,
42 < [  --enable-oopse-home=DIR      define oopse home dir [PREFIX/oopse]],
43 < [OOPSE_HOME="${enableval}"])
27 > AC_SUBST(debug)
28  
29 < dnl **** define C compiler
46 < CC=${CC-icc}
47 < AC_ARG_WITH(cc,
48 < [  --with-cc=PROG               use PROG as C compiler [${CC-icc}]],
49 < [CC="${withval}"])
50 < AC_PROG_CC([icc gcc cc])
51 <
52 < dnl **** define C compiler
53 < CXX=${CXX-icc}
54 < AC_ARG_WITH(cxx,
55 < [  --with-cxx=PROG               use PROG as C++ compiler [${CXX-icc}]],
56 < [CXX="${withval}"])
57 < AC_PROG_CXX([icc g++ c++])
58 <
59 < dnl **** define Fortran compiler
60 < F77=${F77-ifc}
61 < AC_ARG_WITH(f77,
62 < [  --with-f77=PROG              use PROG as Fortran compiler [${F77-ifc}]],
63 < [F77="${withval}"])
64 < AC_PROG_F77([ifc f90])
65 <
66 < dnl **** check if user wants to compile with debugging support
67 < AC_ARG_ENABLE(debug,
68 < [  --enable-debug               turn on debugging [no]],
69 < [case "${enableval}" in
70 <  yes) debug=true ;;
71 <  no)  debug=false ;;
72 <  *) AC_MSG_ERROR(bad value ${enableval} for --enable-debug) ;;
73 < esac],[debug=false])
74 <
75 <
76 < dnl **** Define CFLAGS etc empty to prevent configure from setting them
77 < CFLAGS=${CFLAGS-""}
78 < FFLAGS=${FFLAGS-""}
79 < LDFLAGS=${LDFLAGS-""}
80 < OPTIMIZE=${OPTIMIZE-""}
81 < DEBUG=${DEBUG-""}
82 <
83 <
84 < dnl **** Check for host type
29 > # who am i
30   AC_CANONICAL_HOST
31  
32 + dnl Checks for programs.
33 + AC_PROG_CC([icc xlc gcc cc])
34 + AC_PROG_CXX([icpc icc xlC CC g++ c++])
35 + AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95])
36 + ACX_PROG_F90_PREPFLAG
37 + ACX_PROG_F90_PREPDEFFLAG
38  
88 – 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"
96 –
97 –    dnl **** check for strength-reduce bug
98 –    ACX_GCC_STRENGTH_REDUCE(CFLAGS="$CFLAGS -fno-strength-reduce")
99 –
100 –    dnl **** some arch-specific optimizations/settings for gcc
101 –    case "${host}" in
102 –      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 –
39   case $debug in
40 <  true) CFLAGS="$DEBUG $CFLAGS";;
41 <  *) CFLAGS="$OPTIMIZE $CFLAGS";;
40 >  1)
41 >     ;;
42 >  *)
43 >   ACX_PROG_CC_MAXOPT
44 >   ACX_PROG_CXX_MAXOPT
45 >   ACX_PROG_F90_MAXOPT
46 >     ;;
47   esac
48  
49 < dnl **** .exe/.obj file extensions
50 < AC_EXEEXT
158 < AC_OBJEXT
159 <
160 < OBJEXT=".$OBJEXT"
161 <
49 > AC_PROG_INSTALL
50 > AC_PROG_LN_S
51   AC_PROG_MAKE_SET
52 <
53 < dnl **** Checks for programs.
52 > AC_PROG_RANLIB
53 > AC_PROG_YACC
54 > AC_PROG_LEX
55   AC_CHECK_PROG(AR, ar, ar, NONE)
56   if test "$AR" = "NONE"; then
57    AC_MSG_ERROR(--> Can't find \`ar'!)
# Line 169 | Line 59 | AC_F77_LIBRARY_LDFLAGS
59    exit 1
60   fi
61  
62 < AC_F77_LIBRARY_LDFLAGS
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_)
69  
70 < case $F77 in
71 <        ifc) fortran_machine_defs='Linux_ifc_machdep.$(O)' flibs_extra='-lPEPCF90' ;;
72 <        *) echo $F77; AC_MSG_ERROR([currently only ifc is supported as the fortran compiler. See README for details]) ;;
70 > AC_MSG_CHECKING([for mpi-directory])
71 > AC_ARG_WITH(mpi_dir,
72 >              [  --with-mpi_dir=MPIDIR   give the path for MPI [/usr/local]],
73 >                MPI_DIR="$withval", MPI_DIR="/usr/local")
74 > AC_MSG_RESULT([$MPI_DIR])
75 > AC_SUBST([mpi_dir])
76 >
77 > AC_MSG_CHECKING([for mpi-lib-directory])
78 > AC_ARG_WITH(mpi_libdir,
79 >              [  --with-mpi-libdir=dir  give the path for MPI-libraries [MPI_DIR/lib]],
80 >                MPI_LIBDIR="$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 $MPI_LIB)
130 >  ;;
131   esac
132 < AC_SUBST([fortran_machine_defs])
179 < AC_SUBST([flibs_extra])
132 > AC_SUBST(MPI_LIB)
133  
134 < AC_ARG_WITH(mpi_f90_mods,
182 < [  --with-mpi_f90_mods=<dir>      specify the location of the MPI F90
183 <                                modules (default is
184 <                                /usr/local/include/f90choice],
185 <    [mpi_f90_mods="${withval}"],
186 <    [mpi_f90_mods="/usr/local/include/f90choice"] )
187 < AC_SUBST(mpi_f90_mods)
188 < if test -r $mpi_f90_mods/MPI.mod; then
189 <  AC_DEFINE(USE_MPI_F90_MODS, 1, [define whether we have the MPI f90 modules])
190 < else
191 <  AC_MSG_ERROR(--> Can't find MPI f90 modules!)
192 <  AC_CACHE_SAVE
193 <  exit 1
194 < fi
134 > ACX_MPI
135  
136 < AC_ARG_WITH(sprng_include,
137 < [  --with-sprng_include=<include dir>    specify the location of the sprng
138 <                                         headers (default is
199 <                                         /usr/local/include/sprng)],
200 <        [sprng_include="$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([$sprng_libdir/libsprng.a],,
215 <                 AC_MSG_ERROR(libsprng.a not found.))
136 > AM_PATH_SPRNG
137 > CHECK_MKL
138 > AC_CHECK_MPI_F90MOD
139  
140 < AC_ARG_WITH(mpich_include,
141 < [  --with-mpich_include=<include dir>    specify the location of the mpich
142 <                                         headers (default is
220 <                                         /usr/local/include)],
221 <        [mpich_include="$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([$mpich_libdir/libmpich.a],,
235 <                 AC_MSG_ERROR(libmpi.a not found.))
140 > AC_EXEEXT
141 > AC_OBJEXT
142 > OBJEXT=".$OBJEXT"
143  
144 + OOPSE=oopse
145  
146 < AC_PROG_INSTALL
146 > dnl **** define home dir of oopse
147 > if test "x${prefix}" = "xNONE"
148 > then
149 >  OOPSE_HOME=${ac_default_prefix}/oopse
150 > else
151 >  OOPSE_HOME=${prefix}/oopse
152 > fi
153 > AC_ARG_ENABLE(oopse-home,
154 > [  --enable-oopse-home=DIR      define oopse home dir [PREFIX/oopse]],
155 > [OOPSE_HOME="${enableval}"])
156 >
157   case "x$INSTALL" in
158     x/*) ;;
159     *) INSTALL=`pwd`/ac-tools/"shtool install -c" ;
# Line 244 | Line 162 | SUBDIRS="libBASS libmdtools src forceFields"
162   MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f"
163  
164   dnl **** Final list of subdirs
165 < SUBDIRS="libBASS libmdtools src forceFields"
165 > SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps"
166  
167 < dnl **** Create Make.conf
168 < AC_OUTPUT(Make.conf:ac-tools/Make.conf.in)
167 > dnl **** Define CFLAGS etc empty to prevent configure from setting them
168 > CFLAGS=${CFLAGS-""}
169 > CXXFLAGS=${CXXFLAGS-""}
170 > CPPFLAGS=${CPPFLAGS-""}
171 > FFLAGS=${FFLAGS-""}
172 > F90FLAGS=${F90FLAGS-""}
173 > LDFLAGS=${LDFLAGS-""}
174 > DEBUG=${DEBUG-"-g"}
175 >
176 > case $debug in
177 >  1)
178 >     CFLAGS="$DEBUG $CFLAGS"
179 >     CXXFLAGS="$DEBUG $CXXFLAGS"
180 >     FFLAGS="$DEBUG $FFLAGS"
181 >     F90FLAGS="$DEBUG $F90FLAGS"
182 >     ;;
183 >  *)
184 >     ;;
185 > esac
186 >
187 >
188 > AC_SUBST(EXEEXT)
189 > AC_SUBST(OBJEXT)
190 > AC_SUBST(BATEXT)
191 > AC_SUBST(MKINSTALLDIRS)
192 > AC_SUBST(OOPSE)
193 > AC_SUBST(OOPSE_HOME)
194 > AC_SUBST(SUBDIRS)
195 > AC_SUBST(CFLAGS)
196 > AC_SUBST(CXXFLAGS)
197 > AC_SUBST(CPPFLAGS)
198 > AC_SUBST(FFLAGS)
199 > AC_SUBST(F90FLAGS)
200 > AC_SUBST(LDFLAGS)
201 > AC_SUBST(PREPFLAG)
202 > AC_SUBST(PREPDEFFLAG)
203 > AC_CONFIG_HEADER([libmdtools/config.h])
204 > AC_CONFIG_FILES([Makefile
205 >        libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile
206 >        utils/sysbuilder/Makefile  forceFields/Makefile samples/Makefile
207 >        staticProps/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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