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dnl **** Process this file with autoconf to produce a configure script. |
| 2 |
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| 3 |
< |
AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse) |
| 3 |
> |
AC_INIT(OOPSE, 2.0, gezelter@nd.edu, oopse) |
| 4 |
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AC_CONFIG_AUX_DIR(ac-tools) |
| 5 |
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|
| 6 |
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builtin(include, ac-tools/fortran90.m4) |
| 7 |
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builtin(include, ac-tools/aclocal.m4) |
| 8 |
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|
| 9 |
< |
AC_CONFIG_SRCDIR([src/oopse.cpp]) |
| 9 |
> |
AC_CONFIG_SRCDIR([src/applications/oopse/oopse.cpp]) |
| 10 |
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|
| 11 |
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AC_PREFIX_DEFAULT("/usr/local") |
| 12 |
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|
| 28 |
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# who am i |
| 29 |
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AC_CANONICAL_HOST |
| 30 |
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|
| 31 |
+ |
|
| 32 |
+ |
|
| 33 |
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dnl Checks for C compiler |
| 34 |
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AC_PROG_CC([icc xlc gcc cc]) |
| 35 |
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|
| 99 |
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AC_CHECK_MODSUFFIX |
| 100 |
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dnl Fortran 90 module path specifier |
| 101 |
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AC_CHECK_MODDIRFLAG |
| 102 |
+ |
AC_F90_MODULE_NAMES |
| 103 |
+ |
pat=`echo $ac_cv_f90_module_names | sed 's/.*\(%.*%\).*/\1/'` |
| 104 |
+ |
F90_MODULE_NAMES=empty |
| 105 |
+ |
case $pat in |
| 106 |
+ |
%MODULE%) |
| 107 |
+ |
F90_MODULE_NAMES=UPPER ;; |
| 108 |
+ |
%Module%) |
| 109 |
+ |
F90_MODULE_NAMES=Mixed ;; |
| 110 |
+ |
%module%) |
| 111 |
+ |
F90_MODULE_NAMES=lower ;; |
| 112 |
+ |
*) |
| 113 |
+ |
F90_MODULE_NAMES=unknown ;; |
| 114 |
+ |
esac |
| 115 |
+ |
AC_SUBST(F90_MODULE_NAMES) |
| 116 |
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AC_LANG_POP |
| 117 |
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|
| 102 |
– |
dnl check for system getopt |
| 118 |
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AC_LANG_PUSH(C) |
| 119 |
+ |
AC_CHECK_HEADERS(unistd.h sys/pstat.h sys/sysmp.h sys/sysinfo.h sys/table.h sys/param.h sys/sysctl.h sys/sytemcfg.h machine/hal_sysinfo.h) |
| 120 |
+ |
AC_CHECK_FUNCS(pstat_getstatic sysmp getsysinfo sysctl table) |
| 121 |
+ |
# special check for _system_configuration because AIX <4.3.2 do not |
| 122 |
+ |
# contain the `physmem' member. |
| 123 |
+ |
AC_MSG_CHECKING([for external symbol _system_configuration]) |
| 124 |
+ |
AC_TRY_COMPILE([#include <sys/systemcfg.h>], |
| 125 |
+ |
[double x = _system_configuration.physmem;], |
| 126 |
+ |
[AC_MSG_RESULT([yes]) |
| 127 |
+ |
AC_DEFINE(HAVE__SYSTEM_CONFIGURATION, 1, |
| 128 |
+ |
[Define if you have the _system_configuration variable.])], |
| 129 |
+ |
[AC_MSG_RESULT([no])]) |
| 130 |
+ |
|
| 131 |
+ |
dnl check for system getopt |
| 132 |
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adl_FUNC_GETOPT_LONG |
| 133 |
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|
| 134 |
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dnl check for strong optimization options |
| 154 |
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AC_MSG_ERROR(--> Can't find \`ar'!) |
| 155 |
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AC_CACHE_SAVE |
| 156 |
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exit 1 |
| 157 |
+ |
fi |
| 158 |
+ |
|
| 159 |
+ |
AC_PATH_PROG(PS_PATH, ps) |
| 160 |
+ |
AC_CACHE_CHECK([for POSIX ps], ac_cv_prog_ps_posix, [ |
| 161 |
+ |
USER=${USER:-${LOGNAME:-`logname`}} |
| 162 |
+ |
if $PS_PATH -U $USER -opid,args >/dev/null 2>&1; then |
| 163 |
+ |
ac_cv_prog_ps_posix=yes |
| 164 |
+ |
else |
| 165 |
+ |
ac_cv_prog_ps_posix=no |
| 166 |
+ |
fi |
| 167 |
+ |
]) |
| 168 |
+ |
if test "$ac_cv_prog_ps_posix" = yes; then |
| 169 |
+ |
BSD_PS=yes |
| 170 |
+ |
else |
| 171 |
+ |
POSIX_PS=yes |
| 172 |
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fi |
| 173 |
+ |
AC_SUBST(PS_PATH) |
| 174 |
+ |
AC_SUBST(BSD_PS) |
| 175 |
+ |
AC_SUBST(POSIX_PS) |
| 176 |
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|
| 177 |
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|
| 178 |
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AC_ARG_WITH(mpi, |
| 216 |
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|
| 217 |
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CHECK_MKL |
| 218 |
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|
| 219 |
+ |
BB_ENABLE_DOXYGEN |
| 220 |
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|
| 221 |
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AC_EXEEXT |
| 222 |
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AC_OBJEXT |
| 242 |
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|
| 243 |
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MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 244 |
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|
| 198 |
– |
dnl **** Final list of subdirs |
| 199 |
– |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder third-party " |
| 200 |
– |
|
| 245 |
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dnl **** Define CFLAGS etc empty to prevent configure from setting them |
| 246 |
|
CFLAGS=${CFLAGS-""} |
| 247 |
|
CXXFLAGS=${CXXFLAGS-""} |
| 276 |
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AC_SUBST(LDFLAGS) |
| 277 |
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AC_SUBST(PREPFLAG) |
| 278 |
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AC_SUBST(PREPDEFFLAG) |
| 279 |
< |
AC_CONFIG_HEADER([libBASS/config.h libmdtools/config.h]) |
| 280 |
< |
AC_CONFIG_FILES([Makefile |
| 281 |
< |
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
| 238 |
< |
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
| 239 |
< |
third-party/Makefile |
| 240 |
< |
samples/alkane/Makefile samples/argon/Makefile |
| 241 |
< |
samples/lipid/Makefile samples/minimizer/Makefile |
| 242 |
< |
samples/metals/Makefile samples/water/Makefile |
| 243 |
< |
samples/water/dimer/Makefile samples/water/spce/Makefile |
| 244 |
< |
samples/water/ssd/Makefile samples/water/ssde/Makefile |
| 245 |
< |
samples/water/tip4p/Makefile samples/water/tip3p_ice/Makefile |
| 246 |
< |
samples/zcons/Makefile |
| 247 |
< |
]) |
| 279 |
> |
AC_SUBST(F90_MODULE_NAMES) |
| 280 |
> |
AC_CONFIG_HEADER([src/config.h]) |
| 281 |
> |
AC_CONFIG_FILES([make/Makefile src/utils/Makefile]) |
| 282 |
|
|
| 283 |
|
AC_OUTPUT |
