| 1 |
dnl **** Process this file with autoconf to produce a configure script. |
| 2 |
|
| 3 |
AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse) |
| 4 |
AC_CONFIG_AUX_DIR(ac-tools) |
| 5 |
|
| 6 |
builtin(include, ac-tools/fortran90.m4) |
| 7 |
builtin(include, ac-tools/aclocal.m4) |
| 8 |
|
| 9 |
AC_CONFIG_SRCDIR([src/oopse.cpp]) |
| 10 |
|
| 11 |
AC_PREFIX_DEFAULT("/usr/local") |
| 12 |
|
| 13 |
# set program name |
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PROGNAME="oopse" |
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AC_SUBST(PROGNAME) |
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|
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# there are two ways to do debugging. One with the --enable-debug flag |
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# and one using the DEBUG environment variable |
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|
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debug=0 |
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AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [debug=1]) |
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if test "${DEBUG}"; then |
| 23 |
AC_DEFINE(debug, 1, [Code compiled in debug mode]) |
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msg="$msg, debug mode" |
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fi |
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AC_SUBST(debug) |
| 27 |
|
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# who am i |
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AC_CANONICAL_HOST |
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|
| 31 |
dnl Checks for C compiler |
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AC_PROG_CC([icc xlc gcc cc]) |
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|
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dnl Checks for C++ compiler |
| 35 |
AC_PROG_CXX([icpc icc xlc++ xlC CC g++ c++]) |
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|
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dnl If we are not running g++ then we might need some other flags |
| 38 |
dnl to get the templates compiled correctly |
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OOPSE_TEMPLATE_FLAGS="" |
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if test $ac_cv_prog_gxx = no; then |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -ptused -no_prelink]) |
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echo 'void f(){}' > conftest.cc |
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if test -z "`${CXX} -ptused -no_prelink -c conftest.cc 2>&1`"; then |
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AC_MSG_RESULT(yes) |
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OOPSE_TEMPLATE_FLAGS="-ptused -no_prelink" |
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else |
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AC_MSG_RESULT(no) |
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fi |
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rm -f conftest* |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -instances=static]) |
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echo 'void f(){}' > conftest.cc |
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if test -z "`${CXX} -instances=static -c conftest.cc 2>&1`"; then |
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AC_MSG_RESULT(yes) |
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OOPSE_TEMPLATE_FLAGS="-instances=static" |
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else |
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AC_MSG_RESULT(no) |
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fi |
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rm -f conftest* |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -pto]) |
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echo 'void f(){}' > conftest.cc |
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if test -z "`${CXX} -pto -c conftest.cc 2>&1`"; then |
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AC_MSG_RESULT(yes) |
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OOPSE_TEMPLATE_FLAGS="-pto" |
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else |
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AC_MSG_RESULT(no) |
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fi |
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rm -f conftest* |
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AC_MSG_CHECKING([checking whether ${CXX} accepts -LANG:std]) |
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echo 'void f(){}' > conftest.cc |
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if test -z "`${CXX} -LANG:std -c conftest.cc 2>&1`"; then |
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AC_MSG_RESULT(yes) |
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|
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|
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EXTRA_CC_FLAG=${EXTRA_CC_FLAG}" -LANG:std" |
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else |
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AC_MSG_RESULT(no) |
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fi |
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fi |
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AC_SUBST(OOPSE_TEMPLATE_FLAGS) |
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AC_SUBST(EXTRA_CC_FLAG) |
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|
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dnl Fortran 90 compilation checks are next |
| 83 |
|
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AC_PROG_F90([ifort ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
| 85 |
dnl Check the flag for Fortran90 preprocessing |
| 86 |
ACX_PROG_F90_PREPFLAG |
| 87 |
dnl Check to see if a flag is required for preprocessing defines |
| 88 |
ACX_PROG_F90_PREPDEFFLAG |
| 89 |
AC_LANG_PUSH(Fortran 90) |
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AC_LANG_PREPROC(Fortran 90) |
| 91 |
AC_F90_LIBRARY_LDFLAGS |
| 92 |
dnl How does Fortran mangle function names |
| 93 |
AC_F90_WRAPPERS |
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AC_SUBST(F90_FUNC) |
| 95 |
AC_SUBST(F90_FUNC_) |
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dnl Fortran 90 module suffix |
| 97 |
AC_CHECK_MODSUFFIX |
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dnl Fortran 90 module path specifier |
| 99 |
AC_CHECK_MODDIRFLAG |
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AC_LANG_POP |
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|
| 102 |
dnl check for system getopt |
| 103 |
AC_LANG_PUSH(C) |
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adl_FUNC_GETOPT_LONG |
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|
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dnl check for strong optimization options |
| 107 |
|
| 108 |
case $debug in |
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1) |
| 110 |
;; |
| 111 |
*) |
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ACX_PROG_CC_MAXOPT |
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ACX_PROG_CXX_MAXOPT |
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ACX_PROG_F90_MAXOPT |
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;; |
| 116 |
esac |
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|
| 118 |
AC_PROG_INSTALL |
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AC_PROG_LN_S |
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AC_PROG_MAKE_SET |
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AC_PROG_RANLIB |
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AC_PROG_YACC |
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AC_PROG_LEX |
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AC_CHECK_PROG(AR, ar, ar, NONE) |
| 125 |
if test "$AR" = "NONE"; then |
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AC_MSG_ERROR(--> Can't find \`ar'!) |
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AC_CACHE_SAVE |
| 128 |
exit 1 |
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fi |
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|
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|
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AC_ARG_WITH(mpi, |
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[AC_HELP_STRING([--with-mpi=<prefix>], |
| 134 |
[compile with MPI installed in <prefix> [default=no]])], |
| 135 |
with_mpi=$withval, |
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with_mpi="no") |
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|
| 138 |
case "x$with_mpi" in |
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xyes | "x") USE_MPI=yes;; |
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xno) USE_MPI=no ;; |
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*) MPI="$with_mpi"; USE_MPI=yes ;; |
| 142 |
esac |
| 143 |
if test "$USE_MPI" = "yes" -a -z "$with_mpi"; then |
| 144 |
MPI="/usr/local" |
| 145 |
fi |
| 146 |
if test "$USE_MPI" = "yes"; then |
| 147 |
ACX_MPI |
| 148 |
fi |
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AC_SUBST(USE_MPI) |
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|
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AC_ARG_WITH(sprng, |
| 152 |
[AC_HELP_STRING([--with-sprng=<prefix>], |
| 153 |
[compile with SPRNG installed in <prefix> [default=/usr/local]])], |
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with_sprng=$withval, |
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with_sprng="/usr/local") |
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|
| 157 |
case "x$with_sprng" in |
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xyes | "x") USE_SPRNG=yes;; |
| 159 |
xno) USE_SPRNG=no ;; |
| 160 |
*) SPRNG="$with_sprng"; USE_SPRNG=yes ;; |
| 161 |
esac |
| 162 |
if test "$USE_SPRNG" = "yes" -a -z "$with_sprng"; then |
| 163 |
SPRNG="/usr/local" |
| 164 |
fi |
| 165 |
if test "$USE_SPRNG" = "yes"; then |
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ACX_SPRNG |
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fi |
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AC_SUBST(USE_SPRNG) |
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|
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|
| 171 |
CHECK_MKL |
| 172 |
|
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|
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AC_EXEEXT |
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AC_OBJEXT |
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OBJEXT=".$OBJEXT" |
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|
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OOPSE=oopse |
| 179 |
|
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dnl **** define home dir of oopse |
| 181 |
if test "x${prefix}" = "xNONE" |
| 182 |
then |
| 183 |
OOPSE_HOME=${ac_default_prefix}/oopse |
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else |
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OOPSE_HOME=${prefix}/oopse |
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fi |
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AC_ARG_ENABLE(oopse-home, |
| 188 |
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
| 189 |
[OOPSE_HOME="${enableval}"]) |
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|
| 191 |
case "x$INSTALL" in |
| 192 |
x/*) ;; |
| 193 |
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
| 194 |
esac |
| 195 |
|
| 196 |
MKINSTALLDIRS=`pwd`/ac-tools/"shtool mkdir -p -f" |
| 197 |
|
| 198 |
dnl **** Final list of subdirs |
| 199 |
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder third-party " |
| 200 |
|
| 201 |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
| 202 |
CFLAGS=${CFLAGS-""} |
| 203 |
CXXFLAGS=${CXXFLAGS-""} |
| 204 |
CPPFLAGS=${CPPFLAGS-""} |
| 205 |
FFLAGS=${FFLAGS-""} |
| 206 |
F90FLAGS=${F90FLAGS-""} |
| 207 |
LDFLAGS=${LDFLAGS-""} |
| 208 |
DEBUG=${DEBUG-"-g"} |
| 209 |
|
| 210 |
case $debug in |
| 211 |
1) |
| 212 |
FFLAGS="$DEBUG $FFLAGS" |
| 213 |
F90FLAGS="$DEBUG $F90FLAGS" |
| 214 |
;; |
| 215 |
*) |
| 216 |
;; |
| 217 |
esac |
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|
| 219 |
|
| 220 |
AC_SUBST(EXEEXT) |
| 221 |
AC_SUBST(OBJEXT) |
| 222 |
AC_SUBST(BATEXT) |
| 223 |
AC_SUBST(MKINSTALLDIRS) |
| 224 |
AC_SUBST(OOPSE) |
| 225 |
AC_SUBST(OOPSE_HOME) |
| 226 |
AC_SUBST(SUBDIRS) |
| 227 |
AC_SUBST(CFLAGS) |
| 228 |
AC_SUBST(CXXFLAGS) |
| 229 |
AC_SUBST(CPPFLAGS) |
| 230 |
AC_SUBST(FFLAGS) |
| 231 |
AC_SUBST(F90FLAGS) |
| 232 |
AC_SUBST(LDFLAGS) |
| 233 |
AC_SUBST(PREPFLAG) |
| 234 |
AC_SUBST(PREPDEFFLAG) |
| 235 |
AC_CONFIG_HEADER([libBASS/config.h libmdtools/config.h]) |
| 236 |
AC_CONFIG_FILES([Makefile |
| 237 |
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 |
]) |
| 248 |
|
| 249 |
AC_OUTPUT |
