| 11 |
|
|
| 12 |
|
AC_PREFIX_DEFAULT("/usr/local") |
| 13 |
|
|
| 14 |
– |
# what should I build? |
| 15 |
– |
|
| 16 |
– |
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [DEBUG=1]) |
| 17 |
– |
|
| 14 |
|
# set program name |
| 15 |
|
PROGNAME="oopse" |
| 16 |
|
AC_SUBST(PROGNAME) |
| 17 |
|
|
| 18 |
+ |
# there are two ways to do debugging. One with the --enable-debug flag |
| 19 |
+ |
# and one using the DEBUG environment variable |
| 20 |
+ |
|
| 21 |
+ |
debug=0 |
| 22 |
+ |
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1]) |
| 23 |
|
if test "${DEBUG}"; then |
| 24 |
< |
AC_DEFINE(DEBUG, 1, [Code compiled in debug mode]) |
| 24 |
> |
AC_DEFINE(debug, 1, [Code compiled in debug mode]) |
| 25 |
|
msg="$msg, debug mode" |
| 26 |
|
fi |
| 27 |
< |
AC_SUBST(DEBUG) |
| 27 |
> |
AC_SUBST(debug) |
| 28 |
|
|
| 29 |
|
# who am i |
| 30 |
|
AC_CANONICAL_HOST |
| 31 |
|
|
| 32 |
|
dnl Checks for programs. |
| 33 |
|
AC_PROG_CC([icc xlc gcc cc]) |
| 34 |
< |
ACX_PROG_CC_MAXOPT |
| 34 |
< |
AC_PROG_CXX([icpc icc xlC g++ c++]) |
| 35 |
< |
ACX_PROG_CXX_MAXOPT |
| 34 |
> |
AC_PROG_CXX([icpc icc xlC CC g++ c++]) |
| 35 |
|
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
| 37 |
– |
ACX_PROG_F90_MAXOPT |
| 36 |
|
ACX_PROG_F90_PREPFLAG |
| 37 |
|
ACX_PROG_F90_PREPDEFFLAG |
| 38 |
+ |
|
| 39 |
+ |
case $debug in |
| 40 |
+ |
1) |
| 41 |
+ |
;; |
| 42 |
+ |
*) |
| 43 |
+ |
ACX_PROG_CC_MAXOPT |
| 44 |
+ |
ACX_PROG_CXX_MAXOPT |
| 45 |
+ |
ACX_PROG_F90_MAXOPT |
| 46 |
+ |
;; |
| 47 |
+ |
esac |
| 48 |
+ |
|
| 49 |
|
AC_PROG_INSTALL |
| 50 |
|
AC_PROG_LN_S |
| 51 |
|
AC_PROG_MAKE_SET |
| 66 |
|
AC_F90_WRAPPERS |
| 67 |
|
AC_SUBST(F90_FUNC) |
| 68 |
|
AC_SUBST(F90_FUNC_) |
| 69 |
+ |
dnl module stuff |
| 70 |
+ |
AC_CHECK_MODSUFFIX |
| 71 |
+ |
AC_CHECK_MODDIRFLAG |
| 72 |
|
|
| 73 |
|
AC_MSG_CHECKING([for mpi-directory]) |
| 74 |
|
AC_ARG_WITH(mpi_dir, |
| 138 |
|
|
| 139 |
|
AM_PATH_SPRNG |
| 140 |
|
CHECK_MKL |
| 141 |
+ |
|
| 142 |
|
AC_CHECK_MPI_F90MOD |
| 143 |
|
|
| 144 |
|
AC_EXEEXT |
| 166 |
|
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 167 |
|
|
| 168 |
|
dnl **** Final list of subdirs |
| 169 |
< |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder" |
| 169 |
> |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps" |
| 170 |
|
|
| 171 |
|
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
| 172 |
< |
#CFLAGS=${CFLAGS-""} |
| 173 |
< |
#CXXFLAGS=${CXXFLAGS-""} |
| 174 |
< |
#CPPFLAGS=${CPPFLAGS-""} |
| 175 |
< |
#FFLAGS=${FFLAGS-""} |
| 176 |
< |
#LDFLAGS=${LDFLAGS-""} |
| 177 |
< |
#OPTIMIZE=${OPTIMIZE-"-O"} |
| 178 |
< |
#DEBUG=${DEBUG-"-g"} |
| 172 |
> |
CFLAGS=${CFLAGS-""} |
| 173 |
> |
CXXFLAGS=${CXXFLAGS-""} |
| 174 |
> |
CPPFLAGS=${CPPFLAGS-""} |
| 175 |
> |
FFLAGS=${FFLAGS-""} |
| 176 |
> |
F90FLAGS=${F90FLAGS-""} |
| 177 |
> |
LDFLAGS=${LDFLAGS-""} |
| 178 |
> |
DEBUG=${DEBUG-"-g"} |
| 179 |
|
|
| 180 |
|
case $debug in |
| 181 |
< |
true) |
| 169 |
< |
CFLAGS="$DEBUG $CFLAGS" |
| 170 |
< |
CXXFLAGS="$DEBUG $CXXFLAGS" |
| 181 |
> |
1) |
| 182 |
|
FFLAGS="$DEBUG $FFLAGS" |
| 183 |
|
F90FLAGS="$DEBUG $F90FLAGS" |
| 184 |
|
;; |
| 185 |
|
*) |
| 175 |
– |
CFLAGS="$OPTIMIZE $CFLAGS" |
| 176 |
– |
CXXFLAGS="$OPTIMIZE $CXXFLAGS" |
| 177 |
– |
FFLAGS="$OPTIMIZE $FFLAGS" |
| 178 |
– |
F90FLAGS="$OPTIMIZE $F90FLAGS" |
| 186 |
|
;; |
| 187 |
|
esac |
| 188 |
|
|
| 206 |
|
AC_CONFIG_FILES([Makefile |
| 207 |
|
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
| 208 |
|
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
| 209 |
+ |
staticProps/Makefile |
| 210 |
|
samples/alkane/Makefile samples/argon/Makefile |
| 211 |
|
samples/beadLipid/Makefile samples/lipid/Makefile |
| 212 |
|
samples/metals/Makefile samples/water/Makefile |
