| 1 | # -*- Autoconf -*-
|
|---|
| 2 | # Process this file with autoconf to produce a configure script.
|
|---|
| 3 |
|
|---|
| 4 | AC_PREREQ(2.59)
|
|---|
| 5 | AC_INIT(MoleCuilder, 1.5.4, [foo@molecuilder.de], [molecuilder], [http://www.molecuilder.de/])
|
|---|
| 6 | AC_CONFIG_AUX_DIR([build-aux])
|
|---|
| 7 | AC_CONFIG_SRCDIR([src/builder.cpp])
|
|---|
| 8 | AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
|
|---|
| 9 | AC_CONFIG_MACRO_DIR([m4])
|
|---|
| 10 | AC_CONFIG_SUBDIRS([ThirdParty/LinearAlgebra])
|
|---|
| 11 | AC_CONFIG_SUBDIRS([ThirdParty/mpqc_open])
|
|---|
| 12 |
|
|---|
| 13 | # parallel-tests: use parallel test druver
|
|---|
| 14 | # color-tests: us coloring to indicate success/failure when available
|
|---|
| 15 | # tar-pax: use newer tar implementation with longer filename (>99 chars)
|
|---|
| 16 | AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax subdir-objects])
|
|---|
| 17 |
|
|---|
| 18 | # Checks for programs.
|
|---|
| 19 | AC_PROG_CXX
|
|---|
| 20 | AC_PROG_INSTALL
|
|---|
| 21 |
|
|---|
| 22 | # check for cppunit (taken from svn.apache.org/../xmlbeanscxx)
|
|---|
| 23 | AM_PATH_CPPUNIT(1.9.6)
|
|---|
| 24 | AM_CONDITIONAL(CONDCPPUNIT, test "$CPPUNIT_LIBS")
|
|---|
| 25 |
|
|---|
| 26 | dnl Check if we have enable python
|
|---|
| 27 | # python module
|
|---|
| 28 | AC_MSG_CHECKING(whether to enable python module)
|
|---|
| 29 | AC_ARG_ENABLE(
|
|---|
| 30 | [python],
|
|---|
| 31 | AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
|
|---|
| 32 | enable_python=$enableval,
|
|---|
| 33 | enable_python="yes")
|
|---|
| 34 | AC_MSG_RESULT($enable_python)
|
|---|
| 35 | AS_IF([test x"$enable_python" != x"no"],[
|
|---|
| 36 | # Python (for boost::python)
|
|---|
| 37 | AM_PATH_PYTHON([2.2])
|
|---|
| 38 | AX_PYTHON
|
|---|
| 39 | AC_DEFINE(HAVE_PYTHON,1, ["Build python module and scripts."])
|
|---|
| 40 | ])
|
|---|
| 41 | AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"])
|
|---|
| 42 | AC_SUBST(HAVE_PYTHON)
|
|---|
| 43 |
|
|---|
| 44 | dnl Check whether no extra thread for ActionQueue shall be used
|
|---|
| 45 | AC_MSG_CHECKING(whether to enable ActionQueue's run thread)
|
|---|
| 46 | AC_ARG_ENABLE(
|
|---|
| 47 | [action_thread],
|
|---|
| 48 | AS_HELP_STRING([--enable-action-thread],[turn on extra run thread for ActionQueue [default=yes]]),
|
|---|
| 49 | enable_action_thread=$enableval,
|
|---|
| 50 | enable_action_thread="no"
|
|---|
| 51 | )
|
|---|
| 52 | AC_MSG_RESULT($enable_action_thread)
|
|---|
| 53 | AS_IF([test x"$enable_action_thread" != x"no"],[
|
|---|
| 54 | AC_DEFINE(HAVE_ACTION_THREAD,1, ["Have extra run thread for ActionQueue."])
|
|---|
| 55 | ])
|
|---|
| 56 | AM_CONDITIONAL([CONDACTIONTHREAD], [test x"$enable_action_thread" != x"no"])
|
|---|
| 57 | AC_SUBST(HAVE_ACTION_THREAD)
|
|---|
| 58 |
|
|---|
| 59 | dnl Check if we have enable qtgui
|
|---|
| 60 | # Qt programs
|
|---|
| 61 | AC_MSG_CHECKING(whether to enable Qt-based GUI)
|
|---|
| 62 | AC_ARG_ENABLE(
|
|---|
| 63 | [qtgui],
|
|---|
| 64 | AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
|
|---|
| 65 | enable_qtgui=$enableval,
|
|---|
| 66 | enable_qtgui="yes")
|
|---|
| 67 | AC_MSG_RESULT($enable_qtgui)
|
|---|
| 68 | AS_IF([test x"$enable_qtgui" != x"no"],[
|
|---|
| 69 | AC_ARG_WITH(
|
|---|
| 70 | [Qt-bin],
|
|---|
| 71 | [AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
|
|---|
| 72 | [have_qtgui_path=$withval],
|
|---|
| 73 | have_qtgui_path="")
|
|---|
| 74 | AS_IF([test x"$have_qtgui_path" != x""],[
|
|---|
| 75 | AC_PATH_PROGS([QT_MOC],
|
|---|
| 76 | [moc-qt4 moc],
|
|---|
| 77 | [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])],
|
|---|
| 78 | [$have_qtgui_path]
|
|---|
| 79 | )
|
|---|
| 80 | AC_PATH_PROGS([QT_RCC],
|
|---|
| 81 | [rcc-qt4 rcc],
|
|---|
| 82 | [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])],
|
|---|
| 83 | [$have_qtgui_path]
|
|---|
| 84 | )
|
|---|
| 85 | AC_PATH_PROGS([QT_UIC],
|
|---|
| 86 | [uic-qt4 uic],
|
|---|
| 87 | [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])],
|
|---|
| 88 | [$have_qtgui_path]
|
|---|
| 89 | )
|
|---|
| 90 | ],[
|
|---|
| 91 | AC_PATH_PROGS([QT_MOC],
|
|---|
| 92 | [moc-qt4 moc],
|
|---|
| 93 | [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])]
|
|---|
| 94 | )
|
|---|
| 95 | AC_PATH_PROGS([QT_RCC],
|
|---|
| 96 | [rcc-qt4 rcc],
|
|---|
| 97 | [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])]
|
|---|
| 98 | )
|
|---|
| 99 | AC_PATH_PROGS([QT_UIC],
|
|---|
| 100 | [uic-qt4 uic],
|
|---|
| 101 | [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])]
|
|---|
| 102 | )
|
|---|
| 103 | ])
|
|---|
| 104 | PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
|
|---|
| 105 | ])
|
|---|
| 106 | AC_SUBST([QT_CFLAGS])
|
|---|
| 107 | AC_SUBST([QT_LIBS])
|
|---|
| 108 | AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
|
|---|
| 109 | ])
|
|---|
| 110 | AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
|
|---|
| 111 | AC_SUBST(HAVE_QTGUI)
|
|---|
| 112 |
|
|---|
| 113 | dnl Check whether qtgui captures log or not
|
|---|
| 114 | AC_MSG_CHECKING(whether to capture stdout in qtgui)
|
|---|
| 115 | AC_ARG_ENABLE(
|
|---|
| 116 | [qtgui_capture_log],
|
|---|
| 117 | AS_HELP_STRING([--enable-qtgui-capture-log],[turn on capturing of log inside qtgui [default=yes]]),
|
|---|
| 118 | enable_qtgui_capture_log=$enableval,
|
|---|
| 119 | enable_qtgui_capture_log="yes"
|
|---|
| 120 | )
|
|---|
| 121 | AC_MSG_RESULT($enable_qtgui_capture_log)
|
|---|
| 122 | AS_IF([test x"$enable_qtgui_capture_log" != x"no"],[
|
|---|
| 123 | AC_DEFINE(QT_CAPTURES_LOG,1, ["Have QtGui capture the stdout."])
|
|---|
| 124 | ])
|
|---|
| 125 | AC_SUBST(QT_CAPTURES_LOG)
|
|---|
| 126 |
|
|---|
| 127 |
|
|---|
| 128 | # check additionally for QWT to enable plotting of potentials
|
|---|
| 129 | AC_MSG_CHECKING(whether to enable Qwt-based plotting)
|
|---|
| 130 | #enable_qwt=yes
|
|---|
| 131 | AC_ARG_ENABLE(
|
|---|
| 132 | [qwt],
|
|---|
| 133 | AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]),
|
|---|
| 134 | enable_qwt=$enableval,
|
|---|
| 135 | enable_qwt="yes")
|
|---|
| 136 | AC_MSG_RESULT($enable_qwt)
|
|---|
| 137 | AS_IF([test x"$enable_qwt" != x"no"],[
|
|---|
| 138 | MOL_AC_HAVE_QWT_IFELSE(
|
|---|
| 139 | [
|
|---|
| 140 | enable_qwt=yes
|
|---|
| 141 | AC_DEFINE(HAVE_QWT,1, ["Build Qwt-based plotting"])
|
|---|
| 142 | ],
|
|---|
| 143 | [
|
|---|
| 144 | enable_qwt=no
|
|---|
| 145 | AC_MSG_WARN([Qwt not found, disabling plotting in QtUI.])
|
|---|
| 146 | ]
|
|---|
| 147 | )
|
|---|
| 148 | ])
|
|---|
| 149 | AM_CONDITIONAL([CONDQWT], [test x"$enable_qwt" != x"no"])
|
|---|
| 150 | AC_SUBST(HAVE_QWT)
|
|---|
| 151 |
|
|---|
| 152 | # use doxygen
|
|---|
| 153 | DX_HTML_FEATURE(ON)
|
|---|
| 154 | DX_PS_FEATURE(OFF)
|
|---|
| 155 | DX_PDF_FEATURE(OFF)
|
|---|
| 156 | DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
|
|---|
| 157 |
|
|---|
| 158 | # use docbook
|
|---|
| 159 | AX_CHECK_DOCBOOK
|
|---|
| 160 |
|
|---|
| 161 | # use libtool
|
|---|
| 162 | LT_INIT([static])
|
|---|
| 163 |
|
|---|
| 164 | # Define these substitions here to keep all version information in one place.
|
|---|
| 165 | # For information on how to properly maintain the library version information,
|
|---|
| 166 | # refer to the libtool manual, section "Updating library version information":
|
|---|
| 167 | # http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
|
|---|
| 168 | AC_SUBST([MOLECUILDER_SO_VERSION], [17:0:0])
|
|---|
| 169 | AC_SUBST([MOLECUILDER_API_VERSION], [1.5.4])
|
|---|
| 170 |
|
|---|
| 171 | dnl this macro is used to get the arguments supplied
|
|---|
| 172 | dnl to the configure script (./configure --enable-debug)
|
|---|
| 173 | dnl Check if we have enable debug support.
|
|---|
| 174 | AC_MSG_CHECKING(whether to enable debugging)
|
|---|
| 175 | have_debug="no"
|
|---|
| 176 | AC_ARG_ENABLE(
|
|---|
| 177 | [debug],
|
|---|
| 178 | AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
|
|---|
| 179 | enable_debug=$enableval,
|
|---|
| 180 | enable_debug="no")
|
|---|
| 181 | AC_MSG_RESULT($enable_debug)
|
|---|
| 182 | AS_IF([test x"$enable_debug" = x"yes"],[
|
|---|
| 183 | AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
|
|---|
| 184 | AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
|
|---|
| 185 | have_debug="yes"
|
|---|
| 186 | ],[
|
|---|
| 187 | AS_IF([test x"$enable_debug" = x"full"],[
|
|---|
| 188 | AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
|
|---|
| 189 | AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
|
|---|
| 190 | AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
|
|---|
| 191 | dnl AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
|
|---|
| 192 | have_debug="full"
|
|---|
| 193 | ],[
|
|---|
| 194 | AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
|
|---|
| 195 | AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
|
|---|
| 196 | AC_DEFINE(QT_NO_DEBUG_OUTPUT,, ["Disable Qt debug messages."])
|
|---|
| 197 | have_debug="no"
|
|---|
| 198 | ])
|
|---|
| 199 | ])
|
|---|
| 200 | AC_SUBST(HAVE_DEBUG)
|
|---|
| 201 |
|
|---|
| 202 | dnl this macro is used to get the arguments supplied
|
|---|
| 203 | dnl to the configure script (./configure --enable-debug)
|
|---|
| 204 | dnl Check if we have enable debug support.
|
|---|
| 205 | AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
|
|---|
| 206 | AC_ARG_ENABLE(
|
|---|
| 207 | [cache],
|
|---|
| 208 | AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
|
|---|
| 209 | enable_cache=$enableval,
|
|---|
| 210 | enable_cache="yes")
|
|---|
| 211 | AC_MSG_RESULT($enable_cache)
|
|---|
| 212 | AS_IF([test x"$enable_cache" != x"no"],[
|
|---|
| 213 | AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
|
|---|
| 214 | ],[
|
|---|
| 215 | AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
|
|---|
| 216 | AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
|
|---|
| 217 | ])
|
|---|
| 218 | AC_SUBST(HAVE_CACHE)
|
|---|
| 219 |
|
|---|
| 220 | # Checks for libraries.
|
|---|
| 221 | AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
|
|---|
| 222 |
|
|---|
| 223 | # Pthreads
|
|---|
| 224 | ACX_PTHREAD()
|
|---|
| 225 |
|
|---|
| 226 | # Boost
|
|---|
| 227 | BOOST_REQUIRE([1.40])
|
|---|
| 228 |
|
|---|
| 229 | # Boost headers only
|
|---|
| 230 | BOOST_ANY
|
|---|
| 231 | BOOST_ARRAY
|
|---|
| 232 | BOOST_BIMAP
|
|---|
| 233 | BOOST_BIND
|
|---|
| 234 | BOOST_CAST
|
|---|
| 235 | BOOST_CONVERSION
|
|---|
| 236 | BOOST_EXCEPTION
|
|---|
| 237 | BOOST_FOREACH
|
|---|
| 238 | BOOST_FUNCTION
|
|---|
| 239 | BOOST_FUSION
|
|---|
| 240 | BOOST_GRAPH
|
|---|
| 241 | BOOST_ITERATOR
|
|---|
| 242 | BOOST_MULTIARRAY
|
|---|
| 243 | BOOST_MULTIINDEXCONTAINER
|
|---|
| 244 | BOOST_MPL
|
|---|
| 245 | BOOST_PREPROCESSOR
|
|---|
| 246 | BOOST_RANDOM
|
|---|
| 247 | BOOST_SMART_PTR
|
|---|
| 248 | BOOST_STRING_ALGO
|
|---|
| 249 | BOOST_TOKENIZER
|
|---|
| 250 |
|
|---|
| 251 | # Boost headers with libraries
|
|---|
| 252 | BOOST_FILESYSTEM
|
|---|
| 253 | BOOST_IOSTREAMS
|
|---|
| 254 | BOOST_PROGRAM_OPTIONS
|
|---|
| 255 | AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
|
|---|
| 256 | BOOST_SERIALIZATION
|
|---|
| 257 | BOOST_THREADS
|
|---|
| 258 |
|
|---|
| 259 |
|
|---|
| 260 | # CodePatterns library (requiring UnobservedIterator)
|
|---|
| 261 | compile_codepatterns="no"
|
|---|
| 262 | AM_PATH_CODEPATTERNS([1.3.2], $have_debug,,[
|
|---|
| 263 | # compile from ThirdParty
|
|---|
| 264 | AC_CONFIG_SUBDIRS([ThirdParty/CodePatterns])
|
|---|
| 265 | compile_codepatterns="yes"
|
|---|
| 266 | [CodePatterns_LDFLAGS='-L$(top_builddir)/ThirdParty/CodePatterns/src']
|
|---|
| 267 | [CodePatterns_CFLAGS='-I$(top_srcdir)/ThirdParty/CodePatterns/src']
|
|---|
| 268 | AS_IF([test x"$enable_debug" != x"no"], [
|
|---|
| 269 | [CodePatterns_LIBS='-lcodepatterns-debug']
|
|---|
| 270 | ],[
|
|---|
| 271 | [CodePatterns_LIBS='-lcodepatterns']
|
|---|
| 272 | ])
|
|---|
| 273 | AC_SUBST(CodePatterns_LDFLAGS)
|
|---|
| 274 | AC_SUBST(CodePatterns_CFLAGS)
|
|---|
| 275 | AC_SUBST(CodePatterns_LIBS)
|
|---|
| 276 | #AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])
|
|---|
| 277 | ])
|
|---|
| 278 | AM_CONDITIONAL([COND_COMPILE_CODEPATTERNS], [test x"$compile_codepatterns" = x"yes"])
|
|---|
| 279 |
|
|---|
| 280 | # JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
|
|---|
| 281 | AC_MSG_CHECKING(whether to enable jobmarket)
|
|---|
| 282 | AC_ARG_ENABLE(
|
|---|
| 283 | [jobmarket],
|
|---|
| 284 | AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
|
|---|
| 285 | enable_jobmarket=$enableval,
|
|---|
| 286 | enable_jobmarket="yes")
|
|---|
| 287 | AC_MSG_RESULT($enable_jobmarket)
|
|---|
| 288 | compile_jobmarket="no"
|
|---|
| 289 | AS_IF([test x"$enable_jobmarket" != x"no"],[
|
|---|
| 290 | # the following is only required if we use JobMarket
|
|---|
| 291 | BOOST_ASIO
|
|---|
| 292 | AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
|
|---|
| 293 | # JobMarket library (needs SystemCommandJob with suffix)
|
|---|
| 294 | AM_PATH_JOBMARKET([1.1.6], $have_debug,
|
|---|
| 295 | ,[
|
|---|
| 296 | AC_CONFIG_SUBDIRS([ThirdParty/JobMarket])
|
|---|
| 297 | compile_jobmarket="yes"
|
|---|
| 298 | [JobMarket_CFLAGS='-I$(top_srcdir)/ThirdParty/JobMarket/src']
|
|---|
| 299 | [JobMarket_LDFLAGS='-L$(top_builddir)/ThirdParty/JobMarket/src/JobMarket']
|
|---|
| 300 | [JobMarket_LIBS='-lJobMarket']
|
|---|
| 301 | [JobMarket_Controller_LIBS='-lJobMarketController']
|
|---|
| 302 | [JobMarket_Server_LIBS='-lJobMarketServer']
|
|---|
| 303 | [JobMarket_PoolWorker_LIBS='-lJobMarketPoolWorker']
|
|---|
| 304 | AC_SUBST(JobMarket_CFLAGS)
|
|---|
| 305 | AC_SUBST(JobMarket_LDFLAGS)
|
|---|
| 306 | AC_SUBST(JobMarket_LIBS)
|
|---|
| 307 | AC_SUBST(JobMarket_Controller_LIBS)
|
|---|
| 308 | AC_SUBST(JobMarket_Server_LIBS)
|
|---|
| 309 | AC_SUBST(JobMarket_PoolWorker_LIBS)
|
|---|
| 310 | ])
|
|---|
| 311 | ]
|
|---|
| 312 | AM_CONDITIONAL([COND_COMPILE_JOBMARKET], [test x"$compile_jobmarket" = x"yes"])
|
|---|
| 313 | #[
|
|---|
| 314 | # AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
|
|---|
| 315 | #]
|
|---|
| 316 | )
|
|---|
| 317 | AC_SUBST(HAVE_JOBMARKET)
|
|---|
| 318 | AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
|
|---|
| 319 |
|
|---|
| 320 | # VMG library
|
|---|
| 321 | AC_MSG_CHECKING(whether to compile in long-range support via VMG)
|
|---|
| 322 | AC_ARG_ENABLE(
|
|---|
| 323 | [vmg],
|
|---|
| 324 | [AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])],
|
|---|
| 325 | [enable_vmg=$enableval],
|
|---|
| 326 | enable_vmg="no")
|
|---|
| 327 | AC_MSG_RESULT($enable_vmg)
|
|---|
| 328 | AS_IF([test x"$enable_vmg" != x"no"],[
|
|---|
| 329 | PKG_CHECK_MODULES(VMG, VMG >= 0.1)
|
|---|
| 330 | AC_SUBST(VMG_CFLAGS)
|
|---|
| 331 | AC_SUBST(VMG_LIBS)
|
|---|
| 332 | AC_DEFINE(HAVE_VMG,1, ["use VMG to calculate long-range contributions."])
|
|---|
| 333 |
|
|---|
| 334 | # check whether to use mpi
|
|---|
| 335 | AC_ARG_WITH(
|
|---|
| 336 | [vmg-mpi],
|
|---|
| 337 | [AS_HELP_STRING([--with-vmg-mpi], [whether to use MPI for communication in VMGJobs])],
|
|---|
| 338 | [with_vmg_mpi=yes],
|
|---|
| 339 | [with_vmg_mpi=no])
|
|---|
| 340 | AS_IF(
|
|---|
| 341 | [test "x$with_vmg_mpi" != xno],
|
|---|
| 342 | [
|
|---|
| 343 | AC_LANG_SAVE
|
|---|
| 344 | AC_LANG_CPLUSPLUS
|
|---|
| 345 | LX_FIND_MPI
|
|---|
| 346 | AC_LANG_RESTORE
|
|---|
| 347 | AS_IF([test "x$have_CXX_mpi" = xyes],[
|
|---|
| 348 | AC_DEFINE([MPICH_SKIP_MPICXX], [1], [Skip C++ bindings])
|
|---|
| 349 | AC_DEFINE([OMPI_SKIP_MPICXX], [1], [Skip C++ bindings])
|
|---|
| 350 | AC_DEFINE([MPI_NO_CPPBIND], [1], [Skip C++ bindings])
|
|---|
| 351 | AC_DEFINE([_MPICC_H], [1], [Skip C++ bindings])
|
|---|
| 352 | AC_DEFINE([MPIBULL_SKIP_MPICXX], [1], [Skip C++ bindings])
|
|---|
| 353 | #ac_configure_args="$ac_configure_args --with-mpi-thread=single --with-default-parallel=mpi --with-include=\"$MPI_CXXFLAGS\" --with-libs=\"$MPI_CXXLDFLAGS\""
|
|---|
| 354 | ac_configure_args="$ac_configure_args --with-default-parallel=none"
|
|---|
| 355 | ])
|
|---|
| 356 | ],
|
|---|
| 357 | [])
|
|---|
| 358 | ])
|
|---|
| 359 | AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"])
|
|---|
| 360 | AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"])
|
|---|
| 361 |
|
|---|
| 362 |
|
|---|
| 363 | # Check for Levenberg-Marquardt implementation
|
|---|
| 364 | AC_MSG_CHECKING(whether to enable function fitting via levmar)
|
|---|
| 365 | AC_ARG_ENABLE(
|
|---|
| 366 | [levmar],
|
|---|
| 367 | AS_HELP_STRING([--enable-levmar],[turn on LevMar feature [default=no]]),
|
|---|
| 368 | enable_levmar=$enableval,
|
|---|
| 369 | enable_levmar="no")
|
|---|
| 370 | AC_MSG_RESULT($enable_levmar)
|
|---|
| 371 | # don't use AS_IF here as it expands (and tests) AC_F77_FUN even if levmar
|
|---|
| 372 | # is disabled.
|
|---|
| 373 | compile_levmar="no"
|
|---|
| 374 | AS_IF([test x"$enable_levmar" = xyes],[
|
|---|
| 375 | AC_MSG_CHECKING(for levmar presence via given path )
|
|---|
| 376 | AC_ARG_WITH(
|
|---|
| 377 | [levmar],
|
|---|
| 378 | [AS_HELP_STRING([--with-levmar], [give path to LevMar package])],
|
|---|
| 379 | [have_levmar_path=$withval
|
|---|
| 380 | enable_levmar=yes],
|
|---|
| 381 | [
|
|---|
| 382 | enable_levmar=no
|
|---|
| 383 | ])
|
|---|
| 384 | AC_MSG_RESULT($enable_levmar)
|
|---|
| 385 | AS_IF([test -n "$have_levmar_path"],[
|
|---|
| 386 | LEVMAR_CPPFLAGS="-I${have_levmar_path}/include"
|
|---|
| 387 | LEVMAR_LDFLAGS="-L${have_levmar_path}/lib"
|
|---|
| 388 | LEVMAR_LIBS="-llevmar"],
|
|---|
| 389 | [PKG_CHECK_MODULES([LEVMAR],[levmar],[enable_levmar=yes],[enable_levmar=no])
|
|---|
| 390 | ])
|
|---|
| 391 | ],[enable_levmar=no]
|
|---|
| 392 | )
|
|---|
| 393 | if test x"$enable_levmar" = xyes; then
|
|---|
| 394 | AX_LAPACK([enable_levmar=yes],
|
|---|
| 395 | [enable_levmar=no
|
|---|
| 396 | AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])
|
|---|
| 397 | ]
|
|---|
| 398 | )
|
|---|
| 399 | else
|
|---|
| 400 | AC_CONFIG_SUBDIRS([ThirdParty/levmar])
|
|---|
| 401 | compile_levmar="yes"
|
|---|
| 402 | enable_levmar="yes"
|
|---|
| 403 | LEVMAR_CPPFLAGS='-I$(top_srcdir)/ThirdParty/levmar/src'
|
|---|
| 404 | LEVMAR_LDFLAGS='-L$(top_builddir)/ThirdParty/levmar/src'
|
|---|
| 405 | LEVMAR_LIBS='-llevmar'
|
|---|
| 406 | fi
|
|---|
| 407 | AC_MSG_CHECKING(for levmar usability)
|
|---|
| 408 | AS_IF([test x"$enable_levmar" = xyes],[
|
|---|
| 409 | AC_SUBST(LEVMAR_CPPFLAGS)
|
|---|
| 410 | AC_SUBST(LEVMAR_LDFLAGS)
|
|---|
| 411 | AC_SUBST(LEVMAR_LIBS)
|
|---|
| 412 | AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."])])
|
|---|
| 413 | AC_MSG_RESULT($enable_levmar)
|
|---|
| 414 | AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"])
|
|---|
| 415 | AM_CONDITIONAL([COND_COMPILE_LEVMAR], [test x"$compile_levmar" = x"yes"])
|
|---|
| 416 |
|
|---|
| 417 | # Checks for header files.
|
|---|
| 418 | AC_HEADER_STDC
|
|---|
| 419 | AC_CHECK_HEADERS([sys/time.h])
|
|---|
| 420 | AC_HEADER_STDBOOL
|
|---|
| 421 |
|
|---|
| 422 | AC_FUNC_MALLOC
|
|---|
| 423 | AC_FUNC_REALLOC
|
|---|
| 424 | AC_CHECK_FUNCS([floor pow sqrt strchr])
|
|---|
| 425 |
|
|---|
| 426 | # Checks for typedefs, structures, and compiler characteristics.
|
|---|
| 427 | AC_C_CONST
|
|---|
| 428 | AC_C_INLINE
|
|---|
| 429 | AC_C_RESTRICT
|
|---|
| 430 | AC_TYPE_SIZE_T
|
|---|
| 431 |
|
|---|
| 432 | # Checks for library functions.
|
|---|
| 433 | # check for GNU Scientific Library
|
|---|
| 434 | AC_CHECK_HEADERS([gsl/gsl_blas.h])
|
|---|
| 435 | AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
|
|---|
| 436 | AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
|
|---|
| 437 | AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
|
|---|
| 438 | #AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
|
|---|
| 439 | AC_CHECK_LIB(gsl, main)
|
|---|
| 440 |
|
|---|
| 441 | # use CppUnit TestRunner or not
|
|---|
| 442 | AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
|
|---|
| 443 | AC_ARG_ENABLE(
|
|---|
| 444 | [ecut],
|
|---|
| 445 | AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
|
|---|
| 446 | enable_ecut=$disableval,
|
|---|
| 447 | enable_ecut="no")
|
|---|
| 448 | AC_MSG_RESULT($enable_ecut)
|
|---|
| 449 | AS_IF([test x"$enable_ecut" = x"yes"],[
|
|---|
| 450 | AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
|
|---|
| 451 | AC_SUBST(HAVE_ECUT)
|
|---|
| 452 | ])
|
|---|
| 453 | AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
|
|---|
| 454 |
|
|---|
| 455 | # with valgrinding testsuite or not
|
|---|
| 456 | AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
|
|---|
| 457 | AC_ARG_ENABLE(
|
|---|
| 458 | [valgrind],
|
|---|
| 459 | AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
|
|---|
| 460 | enable_valgrind=$enableval,
|
|---|
| 461 | enable_valgrind="no")
|
|---|
| 462 | AC_MSG_RESULT($enable_valgrind)
|
|---|
| 463 | AS_IF([test x"$enable_valgrind" = x"yes"], [
|
|---|
| 464 | AC_CHECK_HEADER([valgrind/valgrind.h],
|
|---|
| 465 | [
|
|---|
| 466 | # check header
|
|---|
| 467 | AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
|
|---|
| 468 | # check path
|
|---|
| 469 | AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
|
|---|
| 470 | # set variables
|
|---|
| 471 | AC_SUBST(HAVE_VALGRIND_TESTSUITE)
|
|---|
| 472 | AC_SUBST(VALGRIND)
|
|---|
| 473 | ],
|
|---|
| 474 | [
|
|---|
| 475 | AC_MSG_ERROR(["Valgrind support requested but headers not available."])
|
|---|
| 476 | ]
|
|---|
| 477 | )
|
|---|
| 478 | ])
|
|---|
| 479 |
|
|---|
| 480 | # Check for "extern inline", using a modified version
|
|---|
| 481 | # of the test for AC_C_INLINE from acspecific.mt
|
|---|
| 482 | AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
|
|---|
| 483 | [ac_cv_c_extern_inline=no
|
|---|
| 484 | AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
|
|---|
| 485 | extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
|
|---|
| 486 | double foo (double x) { return x + 1.0; };],
|
|---|
| 487 | [ foo(1.0) ],
|
|---|
| 488 | [ac_cv_c_extern_inline="yes"])
|
|---|
| 489 | ])
|
|---|
| 490 |
|
|---|
| 491 | if test "$ac_cv_c_inline" != no ; then
|
|---|
| 492 | AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
|
|---|
| 493 | AC_SUBST(HAVE_INLINE)
|
|---|
| 494 | fi
|
|---|
| 495 |
|
|---|
| 496 | #AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
|
|---|
| 497 |
|
|---|
| 498 | # test suite
|
|---|
| 499 |
|
|---|
| 500 | AC_CONFIG_FILES([
|
|---|
| 501 | tests/Makefile])
|
|---|
| 502 |
|
|---|
| 503 | AC_CONFIG_TESTDIR(tests/Calculations)
|
|---|
| 504 | AC_CONFIG_FILES([
|
|---|
| 505 | tests/Calculations/atlocal
|
|---|
| 506 | tests/Calculations/Makefile])
|
|---|
| 507 | AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])
|
|---|
| 508 |
|
|---|
| 509 | AC_CONFIG_TESTDIR(tests/CodeChecks)
|
|---|
| 510 | AC_CONFIG_FILES([
|
|---|
| 511 | tests/CodeChecks/atlocal
|
|---|
| 512 | tests/CodeChecks/Makefile])
|
|---|
| 513 |
|
|---|
| 514 | AC_CONFIG_TESTDIR(tests/Fragmentations)
|
|---|
| 515 | AC_CONFIG_FILES([
|
|---|
| 516 | tests/Fragmentations/atlocal
|
|---|
| 517 | tests/Fragmentations/Makefile])
|
|---|
| 518 | AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
|
|---|
| 519 |
|
|---|
| 520 | AC_CONFIG_TESTDIR(tests/GuiChecks)
|
|---|
| 521 | AC_CONFIG_FILES([
|
|---|
| 522 | tests/GuiChecks/atlocal
|
|---|
| 523 | tests/GuiChecks/Makefile])
|
|---|
| 524 | AC_CONFIG_FILES([tests/GuiChecks/molecuilder], [chmod +x tests/GuiChecks/molecuilder])
|
|---|
| 525 | AC_CONFIG_FILES([tests/GuiChecks/molecuilderguitest], [chmod +x tests/GuiChecks/molecuilderguitest])
|
|---|
| 526 | AC_CONFIG_FILES([tests/GuiChecks/adjacencymatcher], [chmod +x tests/GuiChecks/adjacencymatcher])
|
|---|
| 527 | AC_CONFIG_FILES([tests/GuiChecks/trianglematcher], [chmod +x tests/GuiChecks/trianglematcher])
|
|---|
| 528 |
|
|---|
| 529 | AC_CONFIG_TESTDIR(tests/JobMarket)
|
|---|
| 530 | AC_CONFIG_FILES([
|
|---|
| 531 | tests/JobMarket/atlocal
|
|---|
| 532 | tests/JobMarket/Makefile])
|
|---|
| 533 | AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
|
|---|
| 534 |
|
|---|
| 535 | AC_CONFIG_TESTDIR(tests/integration)
|
|---|
| 536 | AC_CONFIG_FILES([
|
|---|
| 537 | tests/integration/atlocal
|
|---|
| 538 | tests/integration/Makefile])
|
|---|
| 539 | AC_CONFIG_FILES([tests/integration/molecuilder], [chmod +x tests/integration/molecuilder])
|
|---|
| 540 | AC_CONFIG_FILES([tests/integration/molecuilder_mpqc], [chmod +x tests/integration/molecuilder_mpqc])
|
|---|
| 541 |
|
|---|
| 542 | AC_CONFIG_TESTDIR(tests/regression)
|
|---|
| 543 | AC_CONFIG_FILES([
|
|---|
| 544 | tests/regression/atlocal
|
|---|
| 545 | tests/regression/Makefile])
|
|---|
| 546 | AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
|
|---|
| 547 | AC_CONFIG_FILES([tests/regression/adjacencymatcher], [chmod +x tests/regression/adjacencymatcher])
|
|---|
| 548 | AC_CONFIG_FILES([tests/regression/trianglematcher], [chmod +x tests/regression/trianglematcher])
|
|---|
| 549 | AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython])
|
|---|
| 550 |
|
|---|
| 551 | AC_CONFIG_TESTDIR(tests/Tesselations)
|
|---|
| 552 | AC_CONFIG_FILES([
|
|---|
| 553 | tests/Tesselations/atlocal
|
|---|
| 554 | tests/Tesselations/Makefile])
|
|---|
| 555 | AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
|
|---|
| 556 | AC_CONFIG_FILES([tests/Tesselations/trianglematcher], [chmod +x tests/Tesselations/trianglematcher])
|
|---|
| 557 |
|
|---|
| 558 | AC_CONFIG_TESTDIR(tests/Examples)
|
|---|
| 559 | AC_CONFIG_FILES([
|
|---|
| 560 | tests/Examples/atlocal
|
|---|
| 561 | tests/Examples/Makefile])
|
|---|
| 562 | AC_CONFIG_FILES([tests/Examples/molecuilder], [chmod +x tests/Examples/molecuilder])
|
|---|
| 563 |
|
|---|
| 564 | AC_CONFIG_FILES([
|
|---|
| 565 | doc/molecuilder.xml])
|
|---|
| 566 | AC_CONFIG_FILES([
|
|---|
| 567 | doc/userguide/catalog.xml:doc/userguide/catalog.xml.in])
|
|---|
| 568 | AC_CONFIG_FILES([
|
|---|
| 569 | MoleCuilder.pc:MoleCuilder.pc.in])
|
|---|
| 570 | AC_CONFIG_FILES([
|
|---|
| 571 | doc/Makefile
|
|---|
| 572 | doc/userguide/Makefile
|
|---|
| 573 | ])
|
|---|
| 574 | AC_CONFIG_FILES([
|
|---|
| 575 | Makefile
|
|---|
| 576 | src/Makefile
|
|---|
| 577 | src/Bond/AdjacencyMatcher/Makefile
|
|---|
| 578 | src/Tesselation/TriangleMatcher/Makefile
|
|---|
| 579 | ThirdParty/Makefile
|
|---|
| 580 | data/icons/Makefile
|
|---|
| 581 | utils/Makefile
|
|---|
| 582 | ])
|
|---|
| 583 | AC_CONFIG_FILES([
|
|---|
| 584 | src/unittests/Makefile
|
|---|
| 585 | ])
|
|---|
| 586 |
|
|---|
| 587 | # produce python scripts and tests only when python's present
|
|---|
| 588 | AC_CONFIG_TESTDIR([tests/Python])
|
|---|
| 589 | AC_CONFIG_FILES([tests/Python/atlocal])
|
|---|
| 590 | AM_COND_IF([CONDPYTHON],[
|
|---|
| 591 | AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py])
|
|---|
| 592 | AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper])
|
|---|
| 593 | AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run])
|
|---|
| 594 | ])
|
|---|
| 595 | AC_CONFIG_FILES([tests/Python/Makefile])
|
|---|
| 596 |
|
|---|
| 597 | AC_OUTPUT
|
|---|
