# -*- Autoconf -*- # Process this file with autoconf to produce a configure script. AC_PREREQ(2.59) AC_INIT(MoleCuilder, 1.4.4, [heber@ins.uni-bonn.de], [molecuilder], [http://trac.ins.uni-bonn.de/projects/molecuilder/]) AC_CONFIG_AUX_DIR([build-aux]) AC_CONFIG_SRCDIR([src/builder.cpp]) AC_CONFIG_HEADER([config.h libmolecuilder_config.h]) AC_CONFIG_MACRO_DIR([m4]) AC_CONFIG_SUBDIRS([LinearAlgebra]) # parallel-tests: use parallel test druver # color-tests: us coloring to indicate success/failure when available # tar-pax: use newer tar implementation with longer filename (>99 chars) AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax]) # Checks for programs. AC_PROG_CXX AC_PROG_INSTALL # check for cppunit (taken from svn.apache.org/../xmlbeanscxx) AM_PATH_CPPUNIT(1.9.6) AM_CONDITIONAL(CONDCPPUNIT, test "$CPPUNIT_LIBS") dnl Check if we have enable python # python module AC_MSG_CHECKING(whether to enable python module) AC_ARG_ENABLE( [python], AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]), enable_python=$enableval, enable_python="yes") AC_MSG_RESULT($enable_python) AS_IF([test x"$enable_python" != x"no"],[ # Python (for boost::python) AM_PATH_PYTHON([2.2]) AX_PYTHON AC_DEFINE(HAVE_PYTHON,1, ["Build python module and scripts."]) ]) AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"]) AC_SUBST(HAVE_PYTHON) dnl Check if we have enable qtgui # Qt programs AC_MSG_CHECKING(whether to enable Qt-based GUI) AC_ARG_ENABLE( [qtgui], AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]), enable_qtgui=$enableval, enable_qtgui="yes") AC_MSG_RESULT($enable_qtgui) AS_IF([test x"$enable_qtgui" != x"no"],[ AC_ARG_WITH( [Qt-bin], [AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])], [have_qtgui_path=$withval], have_qtgui_path="") AC_PATH_PROGS([QT_MOC], [moc-qt4 moc], [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])], [$have_qtgui_path] ) AC_PATH_PROGS([QT_RCC], [rcc-qt4 rcc], [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])], [$have_qtgui_path] ) AC_PATH_PROGS([QT_UIC], [uic-qt4 uic], [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])], [$have_qtgui_path] ) PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [ ]) AC_SUBST([QT_CFLAGS]) AC_SUBST([QT_LIBS]) AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"]) ]) AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"]) AC_SUBST(HAVE_QTGUI) # check additionally for QWT to enable plotting of potentials AC_MSG_CHECKING(whether to enable Qwt-based plotting) #enable_qwt=yes AC_ARG_ENABLE( [qwt], AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]), enable_qwt=$enableval, enable_qwt="yes") AC_MSG_RESULT($enable_qwt) AS_IF([test x"$enable_qwt" != x"no"],[ MOL_AC_HAVE_QWT_IFELSE( [ enable_qwt=yes AC_DEFINE(HAVE_QWT,1, ["Build Qwt-based plotting"]) ], [ enable_qwt=no AC_MSG_WARN([Qwt not found, disabling plotting in QtUI.]) ] ) ]) AM_CONDITIONAL([CONDQWT], [test x"$enable_qwt" != x"no"]) AC_SUBST(HAVE_QWT) # use doxygen DX_HTML_FEATURE(ON) DX_PS_FEATURE(OFF) DX_PDF_FEATURE(OFF) DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir}) # use libtool LT_INIT([static]) # Define these substitions here to keep all version information in one place. # For information on how to properly maintain the library version information, # refer to the libtool manual, section "Updating library version information": # http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html AC_SUBST([MOLECUILDER_SO_VERSION], [13:2:1]) AC_SUBST([MOLECUILDER_API_VERSION], [1.4.4]) dnl this macro is used to get the arguments supplied dnl to the configure script (./configure --enable-debug) dnl Check if we have enable debug support. AC_MSG_CHECKING(whether to enable debugging) have_debug="no" AC_ARG_ENABLE( [debug], AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]), enable_debug=$enableval, enable_debug="no") AC_MSG_RESULT($enable_debug) AS_IF([test x"$enable_debug" = x"yes"],[ AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."]) AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."]) have_debug="yes" ],[ AS_IF([test x"$enable_debug" = x"full"],[ AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."]) AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."]) AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."]) AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."]) have_debug="full" ],[ AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."]) AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."]) AC_DEFINE(QT_NO_DEBUG,, ["Disable Qt debug messages."]) have_debug="no" ]) ]) AC_SUBST(HAVE_DEBUG) dnl this macro is used to get the arguments supplied dnl to the configure script (./configure --enable-debug) dnl Check if we have enable debug support. AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation) AC_ARG_ENABLE( [cache], AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]), enable_cache=$enableval, enable_cache="yes") AC_MSG_RESULT($enable_cache) AS_IF([test x"$enable_cache" != x"no"],[ AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."]) ],[ AC_DEFINE(NO_CACHING,1, ["Don't use caching code."]) AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."]) ]) AC_SUBST(HAVE_CACHE) # Checks for libraries. AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found])) # Boost BOOST_REQUIRE([1.40]) # Boost headers only BOOST_ANY BOOST_ARRAY BOOST_BIMAP BOOST_BIND BOOST_CAST BOOST_CONVERSION BOOST_EXCEPTION BOOST_FOREACH BOOST_FUNCTION BOOST_FUSION BOOST_GRAPH BOOST_ITERATOR BOOST_MULTIARRAY BOOST_MPL BOOST_PREPROCESSOR BOOST_RANDOM BOOST_SMART_PTR BOOST_STRING_ALGO BOOST_TOKENIZER # Boost headers with libraries BOOST_FILESYSTEM BOOST_IOSTREAMS BOOST_PROGRAM_OPTIONS AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON]) BOOST_SERIALIZATION BOOST_THREADS # CodePatterns library (extended toString.hpp) AM_PATH_CODEPATTERNS([1.2.7], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])]) # JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp) AC_MSG_CHECKING(whether to enable jobmarket) AC_ARG_ENABLE( [jobmarket], AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]), enable_jobmarket=$enableval, enable_jobmarket="yes") AC_MSG_RESULT($enable_jobmarket) AS_IF([test x"$enable_jobmarket" != x"no"],[ # JobMarket library (needs priorizing of jobs) AM_PATH_JOBMARKET([1.1.4], $have_debug,[ # the following is only required if we have JobMarket BOOST_ASIO AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."]) ],[ enable_jobmarket="no" ]) ] #[ # AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."]) #] ) AC_SUBST(HAVE_JOBMARKET) AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"]) # VMG library AC_MSG_CHECKING(whether to compile in long-range support via VMG) AC_ARG_ENABLE( [vmg], [AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])], [enable_vmg=$enableval], enable_vmg="no") AC_MSG_RESULT($enable_vmg) AS_IF([test x"$enable_vmg" != x"no"],[ PKG_CHECK_MODULES(VMG, VMG >= 0.1) AC_SUBST(VMG_CFLAGS) AC_SUBST(VMG_LIBS) AC_DEFINE(HAVE_VMG,1, ["use VMG to calculate long-range contributions."]) # check whether to use mpi AC_ARG_WITH( [vmg-mpi], [AS_HELP_STRING([--with-vmg-mpi], [whether to use MPI for communication in VMGJobs])], [with_vmg_mpi=yes], [with_vmg_mpi=no]) AS_IF( [test "x$with_vmg_mpi" != xno], [ AC_LANG_SAVE AC_LANG_CPLUSPLUS LX_FIND_MPI AC_LANG_RESTORE AS_IF([test "x$have_CXX_mpi" = xyes],[ AC_DEFINE([MPICH_SKIP_MPICXX], [1], [Skip C++ bindings]) AC_DEFINE([OMPI_SKIP_MPICXX], [1], [Skip C++ bindings]) AC_DEFINE([MPI_NO_CPPBIND], [1], [Skip C++ bindings]) AC_DEFINE([_MPICC_H], [1], [Skip C++ bindings]) AC_DEFINE([MPIBULL_SKIP_MPICXX], [1], [Skip C++ bindings]) ]) ], []) ]) AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"]) AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"]) # Check for Levenberg-Marquardt implementation AC_MSG_CHECKING(whether to enable function fitting via levmar) AC_ARG_ENABLE( [levmar], AS_HELP_STRING([--enable-levmar],[turn on LevMar feature [default=no]]), enable_levmar=$enableval, enable_levmar="no") AC_MSG_RESULT($enable_levmar) # don't use AS_IF here as it expands (and tests) AC_F77_FUN evene if levmar # is disabled. if test x"$enable_levmar" = x"yes"; then AX_LAPACK([enable_levmar=yes],[enable_levmar=no]) fi AS_IF([test x"$enable_levmar" = x"yes"],[ AC_ARG_WITH( [levmar], [AS_HELP_STRING([--with-levmar], [give path to LevMar package])], [have_levmar_path=$withval], [enable_levmar=no]) ],[enable_levmar=no]) AS_IF([test x"$enable_levmar" = x"yes"],[ LEVMAR_CPPFLAGS="-I${have_levmar_path}/include" LEVMAR_LDFLAGS="-L${have_levmar_path}/lib" LEVMAR_LIBS="-llevmar" AC_SUBST(LEVMAR_CPPFLAGS) AC_SUBST(LEVMAR_LDFLAGS) AC_SUBST(LEVMAR_LIBS) AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."]) ],[AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])]) AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"]) # Checks for header files. AC_HEADER_STDC AC_CHECK_HEADERS([sys/time.h]) AC_HEADER_STDBOOL AC_FUNC_MALLOC AC_FUNC_REALLOC AC_CHECK_FUNCS([floor pow sqrt strchr]) # Checks for typedefs, structures, and compiler characteristics. AC_C_CONST AC_C_INLINE AC_C_RESTRICT AC_TYPE_SIZE_T # Checks for library functions. # check for GNU Scientific Library AC_CHECK_HEADERS([gsl/gsl_blas.h]) AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas) AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas) AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl) #AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])]) AC_CHECK_LIB(gsl, main) # use CppUnit TestRunner or not AC_MSG_CHECKING(whether to enable ECut TestRunnerClient) AC_ARG_ENABLE( [ecut], AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]), enable_ecut=$disableval, enable_ecut="no") AC_MSG_RESULT($enable_ecut) AS_IF([test x"$enable_ecut" = x"yes"],[ AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."]) AC_SUBST(HAVE_ECUT) ]) AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"]) # with valgrinding testsuite or not AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite) AC_ARG_ENABLE( [valgrind], AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]), enable_valgrind=$enableval, enable_valgrind="no") AC_MSG_RESULT($enable_valgrind) AS_IF([test x"$enable_valgrind" = x"yes"], [ AC_CHECK_HEADER([valgrind/valgrind.h], [ # check header AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."]) # check path AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false]) # set variables AC_SUBST(HAVE_VALGRIND_TESTSUITE) AC_SUBST(VALGRIND) ], [ AC_MSG_ERROR(["Valgrind support requested but headers not available."]) ] ) ]) # Check for "extern inline", using a modified version # of the test for AC_C_INLINE from acspecific.mt AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline, [ac_cv_c_extern_inline=no AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x); extern $ac_cv_c_inline double foo(double x) { return x+1.0; }; double foo (double x) { return x + 1.0; };], [ foo(1.0) ], [ac_cv_c_extern_inline="yes"]) ]) if test "$ac_cv_c_inline" != no ; then AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"]) AC_SUBST(HAVE_INLINE) fi #AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"]) # test suite AC_CONFIG_FILES([ tests/Makefile]) AC_CONFIG_TESTDIR(tests/CodeChecks) AC_CONFIG_FILES([ tests/CodeChecks/atlocal tests/CodeChecks/Makefile]) AC_CONFIG_TESTDIR(tests/Fragmentations) AC_CONFIG_FILES([ tests/Fragmentations/atlocal tests/Fragmentations/Makefile]) AC_CONFIG_FILES([tests/Fragmentations/analyzer], [chmod +x tests/Fragmentations/analyzer]) AC_CONFIG_FILES([tests/Fragmentations/joiner], [chmod +x tests/Fragmentations/joiner]) AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder]) AC_CONFIG_TESTDIR(tests/JobMarket) AC_CONFIG_FILES([ tests/JobMarket/atlocal tests/JobMarket/Makefile]) AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder]) AC_CONFIG_TESTDIR(tests/regression) AC_CONFIG_FILES([ tests/regression/atlocal tests/regression/Makefile]) AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder]) AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython]) AC_CONFIG_TESTDIR(tests/Tesselations) AC_CONFIG_FILES([ tests/Tesselations/atlocal tests/Tesselations/Makefile]) AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder]) AC_CONFIG_FILES([ doc/molecuilder.xml]) AC_CONFIG_FILES([ MoleCuilder.pc:MoleCuilder.pc.in]) AC_CONFIG_FILES([ Makefile doc/Makefile src/Makefile data/icons/Makefile utils/Makefile ]) AC_CONFIG_FILES([ src/unittests/Makefile ]) # produce python scripts and tests only when python's present AC_CONFIG_TESTDIR([tests/Python]) AC_CONFIG_FILES([tests/Python/atlocal]) AM_COND_IF([CONDPYTHON],[ AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py]) AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper]) AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run]) ]) AC_CONFIG_FILES([tests/Python/Makefile]) AC_OUTPUT