| 1 |
dnl **** Process this file with autoconf to produce a configure script. |
| 2 |
AC_PREREQ(2.59) |
| 3 |
AC_INIT(OpenMD, 1.0, gezelter@nd.edu, openmd) |
| 4 |
AC_CONFIG_AUX_DIR(ac-tools) |
| 5 |
AC_CONFIG_SRCDIR([src/applications/openmd/openmd.cpp]) |
| 6 |
AC_CONFIG_HEADER([src/config.h]) |
| 7 |
|
| 8 |
builtin(include, ac-tools/OpenMD.m4) |
| 9 |
builtin(include, ac-tools/AC_CXX_HAVE_STL.m4) |
| 10 |
builtin(include, ac-tools/AC_CXX_NAMESPACES.m4) |
| 11 |
builtin(include, ac-tools/AC_CXX_STD.m4) |
| 12 |
builtin(include, ac-tools/ax_mpi.m4) |
| 13 |
|
| 14 |
# who am i |
| 15 |
AC_CANONICAL_HOST |
| 16 |
|
| 17 |
AC_PREFIX_DEFAULT("/usr/local") |
| 18 |
|
| 19 |
# set program name |
| 20 |
PROGNAME="openmd" |
| 21 |
AC_SUBST(PROGNAME) |
| 22 |
|
| 23 |
AC_EXEEXT |
| 24 |
AC_OBJEXT |
| 25 |
OBJEXT=".$OBJEXT" |
| 26 |
|
| 27 |
OPENMD=openmd |
| 28 |
|
| 29 |
dnl **** define home dir of OpenMD |
| 30 |
if test "x${prefix}" = "xNONE" |
| 31 |
then |
| 32 |
OPENMD_HOME=${ac_default_prefix}/openmd |
| 33 |
else |
| 34 |
OPENMD_HOME=${prefix}/openmd |
| 35 |
fi |
| 36 |
AC_ARG_ENABLE(openmd-home, |
| 37 |
[ --enable-openmd-home=DIR define OpenMD home dir [PREFIX/openmd]], |
| 38 |
[OPENMD_HOME="${enableval}"]) |
| 39 |
|
| 40 |
# there are two ways to do debugging. One with the --enable-debug flag |
| 41 |
# and one using the DEBUG environment variable |
| 42 |
|
| 43 |
debug=0 |
| 44 |
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OpenMD in debug mode]), [debug=1]) |
| 45 |
if test "${DEBUG}"; then |
| 46 |
AC_DEFINE(debug, 1, [Code compiled in debug mode]) |
| 47 |
msg="$msg, debug mode" |
| 48 |
fi |
| 49 |
AC_SUBST(debug) |
| 50 |
|
| 51 |
AC_ARG_ENABLE(single, [AC_HELP_STRING([--enable-single],[compile OpenMD in single precision])], ok=$enableval, ok=no) |
| 52 |
AC_ARG_ENABLE(float, [AC_HELP_STRING([--enable-float],[synonym for --enable-single])], ok=$enableval) |
| 53 |
if test "$ok" = "yes"; then |
| 54 |
AC_DEFINE(SINGLE_PRECISION,1,[Define to compile in single precision.]) |
| 55 |
USE_SINGLE_PRECISION=yes |
| 56 |
AC_SUBST(USE_SINGLE_PRECISION) |
| 57 |
fi |
| 58 |
|
| 59 |
if test x"$CC" != x; then |
| 60 |
AC_CHECK_PROGS(ac_cc_set,[$CC],[no]) |
| 61 |
AS_IF([test AS_VAR_GET([ac_cc_set]) != no],[ |
| 62 |
AC_PATH_PROG(ac_cc_path,[$ac_cc_set],[no])],[ |
| 63 |
AC_ERROR([Specified C compiler $CC doesn't seem to exist!])]) |
| 64 |
|
| 65 |
AS_IF([test AS_VAR_GET([ac_cc_path]) != no],[ |
| 66 |
AC_MSG_NOTICE([Will attempt to use $CC as C compiler]) |
| 67 |
MPICC=$CC |
| 68 |
],[ |
| 69 |
AC_ERROR([Can't find path to user-specified C compiler $CC])]) |
| 70 |
fi |
| 71 |
|
| 72 |
if test x"$CXX" != x; then |
| 73 |
AC_CHECK_PROGS(ac_cxx_set,[$CXX],[no]) |
| 74 |
AS_IF([test AS_VAR_GET([ac_cxx_set]) != no],[ |
| 75 |
AC_PATH_PROG(ac_cxx_path,[$ac_cxx_set],[no])],[ |
| 76 |
AC_ERROR([Specified C++ compiler $CXX doesn't seem to exist!])]) |
| 77 |
|
| 78 |
AS_IF([test AS_VAR_GET([ac_cxx_path]) != no],[ |
| 79 |
AC_MSG_NOTICE([Will attempt to use $CXX as C++ compiler]) |
| 80 |
MPICXX=$CXX |
| 81 |
],[ |
| 82 |
AC_ERROR([Can't find path to user-specified C++ compiler $CXX])]) |
| 83 |
fi |
| 84 |
|
| 85 |
if test x"$FC" != x; then |
| 86 |
AC_CHECK_PROGS(ac_fc_set,[$FC],[no]) |
| 87 |
AS_IF([test AS_VAR_GET([ac_fc_set]) != no],[ |
| 88 |
AC_PATH_PROG(ac_fc_path,[$ac_fc_set],[no])],[ |
| 89 |
AC_ERROR([Specified Fortran compiler $FC doesn't seem to exist!])]) |
| 90 |
|
| 91 |
AS_IF([test AS_VAR_GET([ac_fc_path]) != no],[ |
| 92 |
AC_MSG_NOTICE([Will attempt to use $FC as Fortran compiler]) |
| 93 |
MPIFC=$FC |
| 94 |
],[ |
| 95 |
AC_ERROR([Can't find path to user-specified Fortran compiler $FC])]) |
| 96 |
fi |
| 97 |
|
| 98 |
|
| 99 |
dnl do MPI checks |
| 100 |
AC_LANG([C++]) |
| 101 |
AX_MPI([USE_MPI="yes"], |
| 102 |
[USE_MPI="no" |
| 103 |
AC_MSG_WARN([No suitable C++ MPI implementation found. openmd_MPI will not be built.])]) |
| 104 |
AS_IF([test AS_VAR_GET([USE_MPI]) != no],[ |
| 105 |
AC_LANG([C]) |
| 106 |
AX_MPI([USE_MPI="yes"], |
| 107 |
[USE_MPI="no" |
| 108 |
AC_MSG_WARN([No suitable C MPI implementation found. openmd_MPI will not be built.])]) |
| 109 |
]) |
| 110 |
AS_IF([test AS_VAR_GET([USE_MPI]) != no],[ |
| 111 |
AC_LANG([Fortran]) |
| 112 |
AX_MPI([USE_MPI="yes"], |
| 113 |
[USE_MPI="no" |
| 114 |
AC_MSG_WARN([No suitable Fortran MPI implementation found. openmd_MPI will not be built.])]) |
| 115 |
]) |
| 116 |
AS_IF([test AS_VAR_GET([USE_MPI]) != no],[ |
| 117 |
CXX=$MPICXX |
| 118 |
CC=$MPICC |
| 119 |
FC=$MPIFC |
| 120 |
]) |
| 121 |
AC_SUBST(USE_MPI) |
| 122 |
|
| 123 |
# Checks for programs. |
| 124 |
AC_PROG_CXX([$CXX icpc pathCC pgCC c++ xlc++ xlC g++ CC]) |
| 125 |
AC_PROG_CC([$CC icc pathcc pgcc cc xlc gcc]) |
| 126 |
AC_PROG_FC([$FC ifort ifc pathf95 pgf95 xlf95 lf95 epcf90 pathf90 xlf90 f95 f90 gfortran g95 fort], 95) |
| 127 |
AC_PROG_CPP |
| 128 |
AC_PROG_EGREP |
| 129 |
AC_PROG_LN_S |
| 130 |
AC_PROG_MAKE_SET |
| 131 |
AC_PROG_RANLIB |
| 132 |
AX_SYS_PERLSHARPBANG |
| 133 |
AC_PROG_INSTALL |
| 134 |
case "x$INSTALL" in |
| 135 |
x/*) ;; |
| 136 |
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
| 137 |
esac |
| 138 |
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 139 |
AC_CHECK_PROG(AR, ar, ar, NONE) |
| 140 |
if test "$AR" = "NONE"; then |
| 141 |
AC_CACHE_SAVE |
| 142 |
exit 1 |
| 143 |
fi |
| 144 |
AC_PATH_PROG(PS, ps) |
| 145 |
AC_CACHE_CHECK([for POSIX or BSD ps syntax], ac_cv_prog_ps_syntax, [ |
| 146 |
if $PS ax -o rss > /dev/null 2>&1; then |
| 147 |
ac_cv_prog_ps_ax=yes |
| 148 |
else |
| 149 |
ac_cv_prog_ps_ax=no |
| 150 |
fi |
| 151 |
if $PS -ef -o rss > /dev/null 2>&1; then |
| 152 |
ac_cv_prog_ps_ef=yes |
| 153 |
else |
| 154 |
ac_cv_prog_ps_ef=no |
| 155 |
fi |
| 156 |
if test "$ac_cv_prog_ps_ax" = yes; then |
| 157 |
ac_cv_prog_ps_syntax=BSD |
| 158 |
else |
| 159 |
if test "$ac_cv_prog_ps_ef" = yes; then |
| 160 |
ac_cv_prog_ps_syntax=POSIX |
| 161 |
else |
| 162 |
AC_MSG_ERROR(Could not determine ps syntax) |
| 163 |
fi |
| 164 |
fi |
| 165 |
]) |
| 166 |
AC_DEFINE_UNQUOTED(PSCOMMAND, $PS, [Path to ps program]) |
| 167 |
if test "$ac_cv_prog_ps_syntax" = BSD; then |
| 168 |
AC_DEFINE(PSTYPE_IS_BSD, 1, [ps uses BSD-style arguments]) |
| 169 |
else |
| 170 |
if test "$ac_cv_prog_ps_syntax" = POSIX; then |
| 171 |
AC_DEFINE(PSTYPE_IS_POSIX, 1, [ps uses POSIX-style arguments]) |
| 172 |
else |
| 173 |
AC_MSG_ERROR(Unknown ps syntax type!) |
| 174 |
fi |
| 175 |
fi |
| 176 |
|
| 177 |
AC_LANG_PUSH(Fortran) |
| 178 |
AC_FC_SRCEXT(F90) |
| 179 |
dnl Check the flag for Fortran90 preprocessing |
| 180 |
ACX_PROG_F90_PREPFLAG |
| 181 |
dnl Check to see if a flag is required for preprocessing defines |
| 182 |
ACX_PROG_F90_PREPDEFFLAG |
| 183 |
AC_FC_WRAPPERS |
| 184 |
AC_SUBST(FC_FUNC) |
| 185 |
AC_SUBST(FC_FUNC_) |
| 186 |
AC_FC_LIBRARY_LDFLAGS |
| 187 |
dnl Fortran 90 module suffix |
| 188 |
AC_CHECK_MODSUFFIX |
| 189 |
dnl Fortran 90 module path specifier |
| 190 |
AC_CHECK_MODDIRFLAG |
| 191 |
AC_F90_MODULE_NAMES |
| 192 |
pat=`echo $ac_cv_f90_module_names | sed 's/.*\(%.*%\).*/\1/'` |
| 193 |
F90_MODULE_NAMES=empty |
| 194 |
case $pat in |
| 195 |
%MODULE%) |
| 196 |
F90_MODULE_NAMES=UPPER ;; |
| 197 |
%Module%) |
| 198 |
F90_MODULE_NAMES=Mixed ;; |
| 199 |
%module%) |
| 200 |
F90_MODULE_NAMES=lower ;; |
| 201 |
*) |
| 202 |
F90_MODULE_NAMES=unknown ;; |
| 203 |
esac |
| 204 |
AC_SUBST(F90_MODULE_NAMES) |
| 205 |
AC_LANG_POP |
| 206 |
|
| 207 |
AC_LANG_C |
| 208 |
|
| 209 |
dnl Checks for libraries. |
| 210 |
AC_CHECK_LIB(m, asin, , exit) |
| 211 |
ACX_CHECK_ZLIB |
| 212 |
ACX_CHECK_FFTW |
| 213 |
ACX_CHECK_QHULL |
| 214 |
ACX_CHECK_OPENBABEL |
| 215 |
|
| 216 |
# Checks for header files. |
| 217 |
AC_HEADER_STDC |
| 218 |
AC_CHECK_HEADERS([libintl.h limits.h machine/hal_sysinfo.h stdlib.h string.h strings.h sys/param.h sys/pstat.h sys/sysctl.h sys/sysinfo.h sys/sysmp.h sys/systemcfg.h sys/table.h sys/time.h unistd.h]) |
| 219 |
|
| 220 |
# Checks for typedefs, structures, and compiler characteristics. |
| 221 |
AC_HEADER_STDBOOL |
| 222 |
AC_C_CONST |
| 223 |
AC_C_INLINE |
| 224 |
AC_TYPE_SIZE_T |
| 225 |
AC_HEADER_TIME |
| 226 |
|
| 227 |
# Checks for library functions. |
| 228 |
AC_FUNC_MALLOC |
| 229 |
AC_FUNC_REALLOC |
| 230 |
AC_FUNC_SELECT_ARGTYPES |
| 231 |
AC_FUNC_STRTOD |
| 232 |
AC_CHECK_FUNCS([floor getpagesize gettimeofday memset pow pstat_getdynamic pstat_getstatic select sqrt strcasecmp strchr strdup stricmp strncasecmp strnicmp strstr strtol sysmp getsysinfo sysctl table]) |
| 233 |
|
| 234 |
# special check for _system_configuration because AIX <4.3.2 do not |
| 235 |
# contain the `physmem' member. |
| 236 |
AC_MSG_CHECKING([for external symbol _system_configuration]) |
| 237 |
AC_TRY_COMPILE([#include <sys/systemcfg.h>], |
| 238 |
[double x = _system_configuration.physmem;], |
| 239 |
[AC_MSG_RESULT([yes]) |
| 240 |
AC_DEFINE(HAVE__SYSTEM_CONFIGURATION, 1, |
| 241 |
[Define if you have the _system_configuration variable.])], |
| 242 |
[AC_MSG_RESULT([no])]) |
| 243 |
|
| 244 |
dnl check for strong optimization options |
| 245 |
|
| 246 |
case $debug in |
| 247 |
1) |
| 248 |
;; |
| 249 |
*) |
| 250 |
ACX_PROG_FC_MAXOPT |
| 251 |
ACX_PROG_CC_MAXOPT |
| 252 |
ACX_PROG_CXX_MAXOPT |
| 253 |
;; |
| 254 |
esac |
| 255 |
|
| 256 |
BB_ENABLE_DOXYGEN |
| 257 |
|
| 258 |
AC_SUBST(EXEEXT) |
| 259 |
AC_SUBST(OBJEXT) |
| 260 |
AC_SUBST(BATEXT) |
| 261 |
AC_SUBST(MKINSTALLDIRS) |
| 262 |
AC_SUBST(OPENMD) |
| 263 |
AC_SUBST(OPENMD_HOME) |
| 264 |
AC_SUBST(SUBDIRS) |
| 265 |
AC_SUBST(CFLAGS) |
| 266 |
AC_SUBST(CXXFLAGS) |
| 267 |
AC_SUBST(CPPFLAGS) |
| 268 |
AC_SUBST(FCFLAGS) |
| 269 |
AC_SUBST(LDFLAGS) |
| 270 |
AC_SUBST(PREPDEFFLAG) |
| 271 |
AC_SUBST(F90_MODULE_NAMES) |
| 272 |
AC_CONFIG_FILES([make/Makefile src/utils/Makefile src/math/Makefile src/integrators/Makefile src/applications/atom2md/Makefile scripts/filepp], [chmod 0755 scripts/*]) |
| 273 |
|
| 274 |
AC_OUTPUT |
