source: configure.ac@ 67a9d5

#                                               -*- Autoconf -*-
# Process this file with autoconf to produce a configure script.

AC_PREREQ(2.59)
AC_INIT(MoleCuilder, 1.4.8, [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 subdir-objects])

# 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 whether no extra thread for ActionQueue shall be used
AC_MSG_CHECKING(whether to enable ActionQueue's run thread)
AC_ARG_ENABLE(
        [action_thread],
        AS_HELP_STRING([--enable-action-thread],[turn on extra run thread for ActionQueue [default=yes]]),
        enable_action_thread=$enableval,
        enable_action_thread="no"
)
AC_MSG_RESULT($enable_action_thread)
AS_IF([test x"$enable_action_thread" != x"no"],[
  AC_DEFINE(HAVE_ACTION_THREAD,1, ["Have extra run thread for ActionQueue."])
])
AM_CONDITIONAL([CONDACTIONTHREAD], [test x"$enable_action_thread" != x"no"])
AC_SUBST(HAVE_ACTION_THREAD)

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
AS_IF([test x"$enable_qtgui" != x"no"],[
AC_MSG_CHECKING(whether to enable Qwt-based plotting)
#enable_qwt=yes
AC_ARG_ENABLE(
        [qwt], 
        AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]),
        enable_qwt=$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.])
                ]
        )
])
],[ 
        AC_MSG_NOTICE(["qwt disabled, as qt not found or disabled."])
        enable_qwt=no
])
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 docbook
AX_CHECK_DOCBOOK

# 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], [14:1:0])
AC_SUBST([MOLECUILDER_API_VERSION], [1.4.8])

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."])
          dnl 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_OUTPUT,, ["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 SystemCommandJob with suffix)
  AM_PATH_JOBMARKET([1.1.5], $have_debug,[
    # the following is only required if we have JobMarket
    BOOST_ASIO
    AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
    ],[
      enable_jobmarket="no"
    ])
]
#[
#  AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
#]
)
AC_SUBST(HAVE_JOBMARKET)
AM_CONDITIONAL([CONDJOBMARKET], [test x"$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/Calculations)
AC_CONFIG_FILES([
        tests/Calculations/atlocal 
        tests/Calculations/Makefile])
AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])

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/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([
        doc/userguide/catalog.xml:doc/userguide/catalog.xml.in])
AC_CONFIG_FILES([
        MoleCuilder.pc:MoleCuilder.pc.in])
AC_CONFIG_FILES([
        doc/Makefile
        doc/userguide/Makefile
])
AC_CONFIG_FILES([
        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