| 1 | # -*- Autoconf -*-
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| 2 | # Process this file with autoconf to produce a configure script.
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| 3 |
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| 4 | AC_PREREQ(2.59)
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| 5 | AC_INIT(MoleCuilder, 1.6.1, [bug@molecuilder.de], [molecuilder], [http://www.molecuilder.de/])
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| 6 | AC_CONFIG_AUX_DIR([build-aux])
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| 7 | AC_CONFIG_SRCDIR([src/builder.cpp])
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| 8 | AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
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| 9 | AC_CONFIG_MACRO_DIR([m4])
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| 10 | AC_CONFIG_SUBDIRS([ThirdParty/LinearAlgebra])
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| 11 | AC_CONFIG_SUBDIRS([ThirdParty/mpqc_open])
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| 12 |
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| 13 | # parallel-tests: use parallel test druver
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| 14 | # color-tests: us coloring to indicate success/failure when available
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| 15 | # tar-pax: use newer tar implementation with longer filename (>99 chars)
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| 16 | AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax subdir-objects])
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| 17 |
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| 18 | # Checks for programs.
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| 19 | AC_PROG_CXX
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| 20 | AC_PROG_INSTALL
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| 21 |
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| 22 | # check for cppunit (taken from svn.apache.org/../xmlbeanscxx)
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| 23 | AM_PATH_CPPUNIT(1.9.6)
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| 24 | AM_CONDITIONAL(CONDCPPUNIT, test "$CPPUNIT_LIBS")
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| 25 |
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| 26 | dnl Check if we have enable python
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| 27 | # python module-
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| 28 | AC_MSG_CHECKING(whether to enable python module)
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| 29 | AC_ARG_ENABLE(
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| 30 | [python],
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| 31 | AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
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| 32 | enable_python=$enableval,
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| 33 | enable_python="yes")
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| 34 | AC_MSG_RESULT($enable_python)
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| 35 | AS_IF([test x"$enable_python" != x"no"],[
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| 36 | # Python (for boost::python)
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| 37 | AM_PATH_PYTHON([2.2])
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| 38 | AC_DEFINE(HAVE_PYTHON,1, ["Build python module and scripts."])
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| 39 | ])
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| 40 | python_version_major=`echo $PYTHON_VERSION | sed -e "s#\([0-9]\)\..*#\1#"`
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| 41 | AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"])
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| 42 | AS_IF([test x"$python_version_major" = x"2"],[
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| 43 | AC_DEFINE(HAVE_PYTHON2, 1, ["using python version 2"])
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| 44 | ],[test x"$python_version_major" = x"3"],[
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| 45 | AC_DEFINE(HAVE_PYTHON3, 1, ["using python version 3"])
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| 46 | ])
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| 47 | AC_SUBST(HAVE_PYTHON)
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| 48 |
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| 49 | dnl Check whether no extra thread for ActionQueue shall be used
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| 50 | AC_MSG_CHECKING(whether to enable ActionQueue's run thread)
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| 51 | AC_ARG_ENABLE(
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| 52 | [action_thread],
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| 53 | AS_HELP_STRING([--enable-action-thread],[turn on extra run thread for ActionQueue [default=yes]]),
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| 54 | enable_action_thread=$enableval,
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| 55 | enable_action_thread="no"
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| 56 | )
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| 57 | AC_MSG_RESULT($enable_action_thread)
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| 58 | AS_IF([test x"$enable_action_thread" != x"no"],[
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| 59 | AC_DEFINE(HAVE_ACTION_THREAD,1, ["Have extra run thread for ActionQueue."])
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| 60 | ])
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| 61 | AM_CONDITIONAL([CONDACTIONTHREAD], [test x"$enable_action_thread" != x"no"])
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| 62 | AC_SUBST(HAVE_ACTION_THREAD)
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| 63 |
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| 64 | dnl Check if we have enable qtgui
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| 65 | # Qt programs
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| 66 | AC_MSG_CHECKING(whether to enable Qt-based GUI)
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| 67 | AC_ARG_ENABLE(
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| 68 | [qtgui],
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| 69 | AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
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| 70 | enable_qtgui=$enableval,
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| 71 | enable_qtgui="yes")
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| 72 | AC_MSG_RESULT($enable_qtgui)
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| 73 | AS_IF([test x"$enable_qtgui" != x"no"],[
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| 74 | AC_ARG_WITH(
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| 75 | [Qt-bin],
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| 76 | [AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
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| 77 | [have_qtgui_path=$withval],
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| 78 | have_qtgui_path="")
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| 79 | AS_IF([test x"$have_qtgui_path" != x""],[
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| 80 | AC_PATH_PROGS([QT_MOC],
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| 81 | [moc-qt4 moc],
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| 82 | [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])],
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| 83 | [$have_qtgui_path]
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| 84 | )
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| 85 | AC_PATH_PROGS([QT_RCC],
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| 86 | [rcc-qt4 rcc],
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| 87 | [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])],
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| 88 | [$have_qtgui_path]
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| 89 | )
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| 90 | AC_PATH_PROGS([QT_UIC],
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| 91 | [uic-qt4 uic],
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| 92 | [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])],
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| 93 | [$have_qtgui_path]
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| 94 | )
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| 95 | ],[
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| 96 | AC_PATH_PROGS([QT_MOC],
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| 97 | [moc-qt4 moc],
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| 98 | [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])]
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| 99 | )
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| 100 | AC_PATH_PROGS([QT_RCC],
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| 101 | [rcc-qt4 rcc],
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| 102 | [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])]
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| 103 | )
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| 104 | AC_PATH_PROGS([QT_UIC],
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| 105 | [uic-qt4 uic],
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| 106 | [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])]
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| 107 | )
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| 108 | ])
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| 109 | PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
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| 110 | :
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| 111 | ])
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| 112 | AC_SUBST([QT_CFLAGS])
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| 113 | AC_SUBST([QT_LIBS])
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| 114 | AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
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| 115 | ])
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| 116 | AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
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| 117 | AC_SUBST(HAVE_QTGUI)
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| 118 |
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| 119 | dnl Check whether qtgui captures log or not
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| 120 | AC_MSG_CHECKING(whether to capture stdout in qtgui)
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| 121 | AC_ARG_ENABLE(
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| 122 | [qtgui_capture_log],
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| 123 | AS_HELP_STRING([--enable-qtgui-capture-log],[turn on capturing of log inside qtgui [default=yes]]),
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| 124 | enable_qtgui_capture_log=$enableval,
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| 125 | enable_qtgui_capture_log="yes"
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| 126 | )
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| 127 | AC_MSG_RESULT($enable_qtgui_capture_log)
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| 128 | AS_IF([test x"$enable_qtgui_capture_log" != x"no"],[
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| 129 | AC_DEFINE(QT_CAPTURES_LOG,1, ["Have QtGui capture the stdout."])
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| 130 | ])
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| 131 | AC_SUBST(QT_CAPTURES_LOG)
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| 132 |
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| 133 |
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| 134 | # check additionally for QWT to enable plotting of potentials
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| 135 | AC_MSG_CHECKING(whether to enable Qwt-based plotting)
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| 136 | #enable_qwt=yes
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| 137 | AC_ARG_ENABLE(
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| 138 | [qwt],
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| 139 | AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]),
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| 140 | enable_qwt=$enableval,
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| 141 | enable_qwt="yes")
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| 142 | AC_MSG_RESULT($enable_qwt)
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| 143 | AS_IF([test x"$enable_qwt" != x"no"],[
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| 144 | MOL_AC_HAVE_QWT_IFELSE(
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| 145 | [
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| 146 | enable_qwt=yes
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| 147 | AC_DEFINE(HAVE_QWT,1, ["Build Qwt-based plotting"])
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| 148 | ],
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| 149 | [
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| 150 | enable_qwt=no
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| 151 | AC_MSG_WARN([Qwt not found, disabling plotting in QtUI.])
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| 152 | ]
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| 153 | )
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| 154 | ])
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| 155 | AM_CONDITIONAL([CONDQWT], [test x"$enable_qwt" != x"no"])
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| 156 | AC_SUBST(HAVE_QWT)
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| 157 |
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| 158 | # use doxygen
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| 159 | DX_HTML_FEATURE(ON)
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| 160 | DX_PS_FEATURE(OFF)
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| 161 | DX_PDF_FEATURE(OFF)
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| 162 | DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
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| 163 |
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| 164 | # use docbook
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| 165 | AX_CHECK_DOCBOOK
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| 166 |
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| 167 | # use libtool
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| 168 | LT_INIT([static])
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| 169 | AC_SUBST([LIBTOOL_DEPS])
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| 170 |
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| 171 | # Define these substitions here to keep all version information in one place.
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| 172 | # For information on how to properly maintain the library version information,
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| 173 | # refer to the libtool manual, section "Updating library version information":
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| 174 | # http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
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| 175 | AC_SUBST([MOLECUILDER_SO_VERSION], [18:0:1])
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| 176 | AC_SUBST([MOLECUILDER_API_VERSION], [1.6.1])
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| 177 |
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| 178 | dnl this macro is used to get the arguments supplied
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| 179 | dnl to the configure script (./configure --enable-debug)
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| 180 | dnl Check if we have enable debug support.
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| 181 | AC_MSG_CHECKING(whether to enable debugging)
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| 182 | have_debug="no"
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| 183 | AC_ARG_ENABLE(
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| 184 | [debug],
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| 185 | AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
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| 186 | enable_debug=$enableval,
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| 187 | enable_debug="no")
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| 188 | AC_MSG_RESULT($enable_debug)
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| 189 | AS_IF([test x"$enable_debug" = x"yes"],[
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| 190 | AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
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| 191 | AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
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| 192 | have_debug="yes"
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| 193 | ],[
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| 194 | AS_IF([test x"$enable_debug" = x"full"],[
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| 195 | AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
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| 196 | AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
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| 197 | AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
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| 198 | dnl AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
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| 199 | have_debug="full"
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| 200 | ],[
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| 201 | AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
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| 202 | AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
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| 203 | AC_DEFINE(QT_NO_DEBUG_OUTPUT,, ["Disable Qt debug messages."])
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| 204 | have_debug="no"
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| 205 | ])
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| 206 | ])
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| 207 | AC_SUBST(HAVE_DEBUG)
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| 208 |
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| 209 | dnl this macro is used to get the arguments supplied
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| 210 | dnl to the configure script (./configure --enable-debug)
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| 211 | dnl Check if we have enable debug support.
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| 212 | AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
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| 213 | AC_ARG_ENABLE(
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| 214 | [cache],
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| 215 | AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
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| 216 | enable_cache=$enableval,
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| 217 | enable_cache="yes")
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| 218 | AC_MSG_RESULT($enable_cache)
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| 219 | AS_IF([test x"$enable_cache" != x"no"],[
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| 220 | AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
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| 221 | ],[
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| 222 | AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
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| 223 | AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
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| 224 | ])
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| 225 | AC_SUBST(HAVE_CACHE)
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| 226 |
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| 227 | # Checks for libraries.
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| 228 | AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
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| 229 |
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| 230 | # Pthreads
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| 231 | ACX_PTHREAD()
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| 232 |
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| 233 | # Boost
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| 234 | BOOST_REQUIRE([1.40])
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| 235 |
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| 236 | # Boost headers only
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| 237 | BOOST_ANY
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| 238 | BOOST_ARRAY
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| 239 | BOOST_BIMAP
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| 240 | BOOST_BIND
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| 241 | BOOST_CAST
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| 242 | BOOST_CONVERSION
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| 243 | BOOST_EXCEPTION
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| 244 | BOOST_FOREACH
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| 245 | BOOST_FUNCTION
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| 246 | BOOST_FUSION
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| 247 | BOOST_GRAPH
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| 248 | BOOST_ITERATOR
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| 249 | BOOST_MULTIARRAY
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| 250 | BOOST_MULTIINDEXCONTAINER
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| 251 | BOOST_MPL
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| 252 | BOOST_PREPROCESSOR
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| 253 | BOOST_RANDOM
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| 254 | BOOST_SMART_PTR
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| 255 | BOOST_STRING_ALGO
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| 256 | BOOST_TOKENIZER
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| 257 |
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| 258 | # Boost headers with libraries
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| 259 | BOOST_FILESYSTEM
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| 260 | BOOST_IOSTREAMS
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| 261 | BOOST_PROGRAM_OPTIONS
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| 262 | AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
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| 263 | BOOST_SERIALIZATION
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| 264 | BOOST_THREADS
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| 265 |
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| 266 |
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| 267 | # CodePatterns library (requiring UnobservedIterator)
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| 268 | compile_codepatterns="no"
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| 269 | AM_PATH_CODEPATTERNS([1.3.2], $have_debug,,[
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| 270 | # compile from ThirdParty
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| 271 | AC_CONFIG_SUBDIRS([ThirdParty/CodePatterns])
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| 272 | compile_codepatterns="yes"
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| 273 | [CodePatterns_LDFLAGS='-L$(top_builddir)/ThirdParty/CodePatterns/src']
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| 274 | [CodePatterns_CFLAGS='-I$(top_srcdir)/ThirdParty/CodePatterns/src']
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| 275 | AS_IF([test x"$enable_debug" != x"no"], [
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| 276 | [CodePatterns_LIBS='-lcodepatterns-debug']
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| 277 | ],[
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| 278 | [CodePatterns_LIBS='-lcodepatterns']
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| 279 | ])
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| 280 | AC_SUBST(CodePatterns_LDFLAGS)
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| 281 | AC_SUBST(CodePatterns_CFLAGS)
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| 282 | AC_SUBST(CodePatterns_LIBS)
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| 283 | #AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])
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| 284 | ])
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| 285 | AC_MSG_CHECKING(whether to compile codepatterns)
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| 286 | AC_MSG_RESULT($compile_codepatterns)
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| 287 | AM_CONDITIONAL([COND_COMPILE_CODEPATTERNS], [test x"$compile_codepatterns" = x"yes"])
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| 288 |
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| 289 | # JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
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| 290 | AC_MSG_CHECKING(whether to enable jobmarket)
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| 291 | AC_ARG_ENABLE(
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| 292 | [jobmarket],
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| 293 | AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
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| 294 | enable_jobmarket=$enableval,
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| 295 | enable_jobmarket="yes")
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| 296 | AC_MSG_RESULT($enable_jobmarket)
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| 297 | compile_jobmarket="no"
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| 298 | AC_MSG_CHECKING(whether to compile jobmarket)
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| 299 | AS_IF([test x"$enable_jobmarket" != x"no"],[
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| 300 | # the following is only required if we use JobMarket
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| 301 | BOOST_ASIO
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| 302 | AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
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| 303 | # JobMarket library (needs SystemCommandJob with suffix)
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| 304 | AM_PATH_JOBMARKET([1.1.6], $have_debug,
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| 305 | ,[
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| 306 | AC_CONFIG_SUBDIRS([ThirdParty/JobMarket])
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| 307 | compile_jobmarket="yes"
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| 308 | [JobMarket_CFLAGS='-I$(top_srcdir)/ThirdParty/JobMarket/src']
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| 309 | [JobMarket_LDFLAGS='-L$(top_builddir)/ThirdParty/JobMarket/src/JobMarket']
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| 310 | [JobMarket_LIBS='-lJobMarket']
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| 311 | [JobMarket_Controller_LIBS='-lJobMarketController']
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| 312 | [JobMarket_Server_LIBS='-lJobMarketServer']
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| 313 | [JobMarket_PoolWorker_LIBS='-lJobMarketPoolWorker']
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| 314 | AC_SUBST(JobMarket_CFLAGS)
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| 315 | AC_SUBST(JobMarket_LDFLAGS)
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| 316 | AC_SUBST(JobMarket_LIBS)
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| 317 | AC_SUBST(JobMarket_Controller_LIBS)
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| 318 | AC_SUBST(JobMarket_Server_LIBS)
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| 319 | AC_SUBST(JobMarket_PoolWorker_LIBS)
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| 320 | ])
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| 321 | ]
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| 322 | AC_MSG_RESULT($compile_jobmarket)
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| 323 | #[
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| 324 | # AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
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| 325 | #]
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| 326 | )
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| 327 | AC_SUBST(HAVE_JOBMARKET)
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| 328 | AM_CONDITIONAL([COND_COMPILE_JOBMARKET], [test x"$compile_jobmarket" = x"yes"])
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| 329 | AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
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| 330 |
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| 331 | # VMG library
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| 332 | AC_MSG_CHECKING(whether to compile in long-range support via vmg)
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| 333 | AC_ARG_ENABLE(
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| 334 | [vmg],
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| 335 | [AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])],
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| 336 | [enable_vmg=$enableval],
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| 337 | enable_vmg="no")
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| 338 | AC_MSG_RESULT($enable_vmg)
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| 339 | compile_vmg="no"
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| 340 | AC_MSG_CHECKING(whether to compile vmg library)
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| 341 | AS_IF([test x"$enable_vmg" != x"no"],[
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| 342 | PKG_CHECK_MODULES(VMG, VMG >= 0.1, [enable_vmg="yes"], [enable_vmg="no"])
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| 343 | AS_IF([test x"$enable_vmg" = x"no"],[
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| 344 | AC_CONFIG_SUBDIRS([ThirdParty/vmg])
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| 345 | compile_vmg="yes"
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| 346 | enable_vmg="yes"
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| 347 | [VMG_CFLAGS='-I$(top_srcdir)/ThirdParty/vmg/src']
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| 348 | [VMG_LDFLAGS='-L$(top_builddir)/ThirdParty/vmg/src']
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| 349 | [VMG_LIBS='-lvmg']
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| 350 | ])
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| 351 | AC_SUBST(VMG_CFLAGS)
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| 352 | AC_SUBST(VMG_LDFLAGS)
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| 353 | AC_SUBST(VMG_LIBS)
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| 354 | AC_DEFINE(HAVE_VMG,1, ["use VMG to calculate long-range contributions."])
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| 355 |
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| 356 | # check whether to use mpi
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| 357 | AC_ARG_WITH(
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| 358 | [vmg-mpi],
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| 359 | [AS_HELP_STRING([--with-vmg-mpi], [whether to use MPI for communication in VMGJobs])],
|
|---|
| 360 | [with_vmg_mpi=yes],
|
|---|
| 361 | [with_vmg_mpi=no])
|
|---|
| 362 | AS_IF(
|
|---|
| 363 | [test "x$with_vmg_mpi" != xno],
|
|---|
| 364 | [
|
|---|
| 365 | AC_LANG_SAVE
|
|---|
| 366 | AC_LANG_CPLUSPLUS
|
|---|
| 367 | LX_FIND_MPI
|
|---|
| 368 | AC_LANG_RESTORE
|
|---|
| 369 | AS_IF([test "x$have_CXX_mpi" = xyes],[
|
|---|
| 370 | AC_DEFINE([MPICH_SKIP_MPICXX], [1], [Skip C++ bindings])
|
|---|
| 371 | AC_DEFINE([OMPI_SKIP_MPICXX], [1], [Skip C++ bindings])
|
|---|
| 372 | AC_DEFINE([MPI_NO_CPPBIND], [1], [Skip C++ bindings])
|
|---|
| 373 | AC_DEFINE([_MPICC_H], [1], [Skip C++ bindings])
|
|---|
| 374 | AC_DEFINE([MPIBULL_SKIP_MPICXX], [1], [Skip C++ bindings])
|
|---|
| 375 | #ac_configure_args="$ac_configure_args --with-mpi-thread=single --with-default-parallel=mpi --with-include=\"$MPI_CXXFLAGS\" --with-libs=\"$MPI_CXXLDFLAGS\""
|
|---|
| 376 | ac_configure_args="$ac_configure_args --with-default-parallel=none"
|
|---|
| 377 | ])
|
|---|
| 378 | ],
|
|---|
| 379 | [])
|
|---|
| 380 | ])
|
|---|
| 381 | AC_MSG_RESULT($compile_vmg)
|
|---|
| 382 | AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"])
|
|---|
| 383 | AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"])
|
|---|
| 384 | AM_CONDITIONAL([COND_COMPILE_VMG], [test x"$compile_vmg" = x"yes"])
|
|---|
| 385 |
|
|---|
| 386 |
|
|---|
| 387 | # Check for Levenberg-Marquardt implementation
|
|---|
| 388 | AC_MSG_CHECKING(whether to enable function fitting via levmar)
|
|---|
| 389 | AC_ARG_ENABLE(
|
|---|
| 390 | [levmar],
|
|---|
| 391 | AS_HELP_STRING([--enable-levmar],[turn on LevMar feature [default=no]]),
|
|---|
| 392 | enable_levmar=$enableval,
|
|---|
| 393 | enable_levmar="no")
|
|---|
| 394 | AC_MSG_RESULT($enable_levmar)
|
|---|
| 395 | # don't use AS_IF here as it expands (and tests) AC_F77_FUN even if levmar
|
|---|
| 396 | # is disabled.
|
|---|
| 397 | compile_levmar="no"
|
|---|
| 398 | AS_IF([test x"$enable_levmar" = xyes],[
|
|---|
| 399 | AC_MSG_CHECKING(for levmar presence via given path )
|
|---|
| 400 | AC_ARG_WITH(
|
|---|
| 401 | [levmar],
|
|---|
| 402 | [AS_HELP_STRING([--with-levmar], [give path to LevMar package])],
|
|---|
| 403 | [have_levmar_path=$withval
|
|---|
| 404 | enable_levmar=yes],
|
|---|
| 405 | [
|
|---|
| 406 | enable_levmar=no
|
|---|
| 407 | ])
|
|---|
| 408 | AC_MSG_RESULT($enable_levmar)
|
|---|
| 409 | AS_IF([test -n "$have_levmar_path"],[
|
|---|
| 410 | LEVMAR_CPPFLAGS="-I${have_levmar_path}/include"
|
|---|
| 411 | LEVMAR_LDFLAGS="-L${have_levmar_path}/lib"
|
|---|
| 412 | LEVMAR_LIBS="-llevmar"],
|
|---|
| 413 | [PKG_CHECK_MODULES([LEVMAR],[levmar],[enable_levmar=yes],[enable_levmar=no])
|
|---|
| 414 | ])
|
|---|
| 415 | ],[enable_levmar=no]
|
|---|
| 416 | )
|
|---|
| 417 | if test x"$enable_levmar" = xyes; then
|
|---|
| 418 | AX_LAPACK([enable_levmar=yes],
|
|---|
| 419 | [enable_levmar=no
|
|---|
| 420 | AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])
|
|---|
| 421 | ]
|
|---|
| 422 | )
|
|---|
| 423 | else
|
|---|
| 424 | AC_CONFIG_SUBDIRS([ThirdParty/levmar])
|
|---|
| 425 | compile_levmar="yes"
|
|---|
| 426 | enable_levmar="yes"
|
|---|
| 427 | LEVMAR_CPPFLAGS='-I$(top_srcdir)/ThirdParty/levmar/src'
|
|---|
| 428 | LEVMAR_LDFLAGS='-L$(top_builddir)/ThirdParty/levmar/src'
|
|---|
| 429 | LEVMAR_LIBS='-llevmar'
|
|---|
| 430 | fi
|
|---|
| 431 | AC_MSG_CHECKING(for levmar usability)
|
|---|
| 432 | AS_IF([test x"$enable_levmar" = xyes],[
|
|---|
| 433 | AC_SUBST(LEVMAR_CPPFLAGS)
|
|---|
| 434 | AC_SUBST(LEVMAR_LDFLAGS)
|
|---|
| 435 | AC_SUBST(LEVMAR_LIBS)
|
|---|
| 436 | AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."])])
|
|---|
| 437 | AC_MSG_RESULT($enable_levmar)
|
|---|
| 438 | AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"])
|
|---|
| 439 | AM_CONDITIONAL([COND_COMPILE_LEVMAR], [test x"$compile_levmar" = x"yes"])
|
|---|
| 440 |
|
|---|
| 441 | # Checks for header files.
|
|---|
| 442 | AC_HEADER_STDC
|
|---|
| 443 | AC_CHECK_HEADERS([sys/time.h])
|
|---|
| 444 | AC_HEADER_STDBOOL
|
|---|
| 445 |
|
|---|
| 446 | AC_FUNC_MALLOC
|
|---|
| 447 | AC_FUNC_REALLOC
|
|---|
| 448 | AC_CHECK_FUNCS([floor pow sqrt strchr])
|
|---|
| 449 |
|
|---|
| 450 | # Checks for typedefs, structures, and compiler characteristics.
|
|---|
| 451 | AC_C_CONST
|
|---|
| 452 | AC_C_INLINE
|
|---|
| 453 | AC_C_RESTRICT
|
|---|
| 454 | AC_TYPE_SIZE_T
|
|---|
| 455 |
|
|---|
| 456 | # Checks for library functions.
|
|---|
| 457 | # check for GNU Scientific Library
|
|---|
| 458 | AC_CHECK_HEADERS([gsl/gsl_blas.h])
|
|---|
| 459 | AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
|
|---|
| 460 | AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
|
|---|
| 461 | AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
|
|---|
| 462 | #AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
|
|---|
| 463 | AC_CHECK_LIB(gsl, main)
|
|---|
| 464 |
|
|---|
| 465 | # use CppUnit TestRunner or not
|
|---|
| 466 | AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
|
|---|
| 467 | AC_ARG_ENABLE(
|
|---|
| 468 | [ecut],
|
|---|
| 469 | AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
|
|---|
| 470 | enable_ecut=$disableval,
|
|---|
| 471 | enable_ecut="no")
|
|---|
| 472 | AC_MSG_RESULT($enable_ecut)
|
|---|
| 473 | AS_IF([test x"$enable_ecut" = x"yes"],[
|
|---|
| 474 | AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
|
|---|
| 475 | AC_SUBST(HAVE_ECUT)
|
|---|
| 476 | ])
|
|---|
| 477 | AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
|
|---|
| 478 |
|
|---|
| 479 | # with valgrinding testsuite or not
|
|---|
| 480 | AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
|
|---|
| 481 | AC_ARG_ENABLE(
|
|---|
| 482 | [valgrind],
|
|---|
| 483 | AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
|
|---|
| 484 | enable_valgrind=$enableval,
|
|---|
| 485 | enable_valgrind="no")
|
|---|
| 486 | AC_MSG_RESULT($enable_valgrind)
|
|---|
| 487 | AS_IF([test x"$enable_valgrind" = x"yes"], [
|
|---|
| 488 | AC_CHECK_HEADER([valgrind/valgrind.h],
|
|---|
| 489 | [
|
|---|
| 490 | # check header
|
|---|
| 491 | AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
|
|---|
| 492 | # check path
|
|---|
| 493 | AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
|
|---|
| 494 | # set variables
|
|---|
| 495 | AC_SUBST(HAVE_VALGRIND_TESTSUITE)
|
|---|
| 496 | AC_SUBST(VALGRIND)
|
|---|
| 497 | ],
|
|---|
| 498 | [
|
|---|
| 499 | AC_MSG_ERROR(["Valgrind support requested but headers not available."])
|
|---|
| 500 | ]
|
|---|
| 501 | )
|
|---|
| 502 | ])
|
|---|
| 503 |
|
|---|
| 504 | # Check for "extern inline", using a modified version
|
|---|
| 505 | # of the test for AC_C_INLINE from acspecific.mt
|
|---|
| 506 | AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
|
|---|
| 507 | [ac_cv_c_extern_inline=no
|
|---|
| 508 | AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
|
|---|
| 509 | extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
|
|---|
| 510 | double foo (double x) { return x + 1.0; };],
|
|---|
| 511 | [ foo(1.0) ],
|
|---|
| 512 | [ac_cv_c_extern_inline="yes"])
|
|---|
| 513 | ])
|
|---|
| 514 |
|
|---|
| 515 | if test "$ac_cv_c_inline" != no ; then
|
|---|
| 516 | AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
|
|---|
| 517 | AC_SUBST(HAVE_INLINE)
|
|---|
| 518 | fi
|
|---|
| 519 |
|
|---|
| 520 | #AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
|
|---|
| 521 |
|
|---|
| 522 | # test suite
|
|---|
| 523 |
|
|---|
| 524 | AC_CONFIG_FILES([
|
|---|
| 525 | tests/Makefile])
|
|---|
| 526 |
|
|---|
| 527 | AC_CONFIG_TESTDIR(tests/Calculations)
|
|---|
| 528 | AC_CONFIG_FILES([
|
|---|
| 529 | tests/Calculations/atlocal
|
|---|
| 530 | tests/Calculations/Makefile])
|
|---|
| 531 | AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])
|
|---|
| 532 | AC_CONFIG_FILES([tests/Calculations/molecuilder_poolworker], [chmod +x tests/Calculations/molecuilder_poolworker])
|
|---|
| 533 |
|
|---|
| 534 | AC_CONFIG_TESTDIR(tests/CodeChecks)
|
|---|
| 535 | AC_CONFIG_FILES([
|
|---|
| 536 | tests/CodeChecks/atlocal
|
|---|
| 537 | tests/CodeChecks/Makefile])
|
|---|
| 538 |
|
|---|
| 539 | AC_CONFIG_TESTDIR(tests/Fragmentations)
|
|---|
| 540 | AC_CONFIG_FILES([
|
|---|
| 541 | tests/Fragmentations/atlocal
|
|---|
| 542 | tests/Fragmentations/Makefile])
|
|---|
| 543 | AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
|
|---|
| 544 |
|
|---|
| 545 | AC_CONFIG_TESTDIR(tests/GuiChecks)
|
|---|
| 546 | AC_CONFIG_FILES([
|
|---|
| 547 | tests/GuiChecks/atlocal
|
|---|
| 548 | tests/GuiChecks/Makefile])
|
|---|
| 549 | AC_CONFIG_FILES([tests/GuiChecks/molecuilder], [chmod +x tests/GuiChecks/molecuilder])
|
|---|
| 550 | AC_CONFIG_FILES([tests/GuiChecks/molecuilderguitest], [chmod +x tests/GuiChecks/molecuilderguitest])
|
|---|
| 551 | AC_CONFIG_FILES([tests/GuiChecks/adjacencymatcher], [chmod +x tests/GuiChecks/adjacencymatcher])
|
|---|
| 552 | AC_CONFIG_FILES([tests/GuiChecks/difffragmentresultcontainer], [chmod +x tests/GuiChecks/difffragmentresultcontainer])
|
|---|
| 553 | AC_CONFIG_FILES([tests/GuiChecks/trianglematcher], [chmod +x tests/GuiChecks/trianglematcher])
|
|---|
| 554 |
|
|---|
| 555 | AC_CONFIG_TESTDIR(tests/JobMarket)
|
|---|
| 556 | AC_CONFIG_FILES([
|
|---|
| 557 | tests/JobMarket/atlocal
|
|---|
| 558 | tests/JobMarket/Makefile])
|
|---|
| 559 | AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
|
|---|
| 560 |
|
|---|
| 561 | AC_CONFIG_TESTDIR(tests/integration)
|
|---|
| 562 | AC_CONFIG_FILES([
|
|---|
| 563 | tests/integration/atlocal
|
|---|
| 564 | tests/integration/Makefile])
|
|---|
| 565 | AC_CONFIG_FILES([tests/integration/molecuilder], [chmod +x tests/integration/molecuilder])
|
|---|
| 566 | AC_CONFIG_FILES([tests/integration/molecuilder_poolworker], [chmod +x tests/integration/molecuilder_poolworker])
|
|---|
| 567 |
|
|---|
| 568 | AC_CONFIG_TESTDIR(tests/regression)
|
|---|
| 569 | AC_CONFIG_FILES([
|
|---|
| 570 | tests/regression/atlocal
|
|---|
| 571 | tests/regression/Makefile])
|
|---|
| 572 | AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
|
|---|
| 573 | AC_CONFIG_FILES([tests/regression/adjacencymatcher], [chmod +x tests/regression/adjacencymatcher])
|
|---|
| 574 | AC_CONFIG_FILES([tests/regression/difffragmentresultcontainer], [chmod +x tests/regression/difffragmentresultcontainer])
|
|---|
| 575 | AC_CONFIG_FILES([tests/regression/trianglematcher], [chmod +x tests/regression/trianglematcher])
|
|---|
| 576 | AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython])
|
|---|
| 577 |
|
|---|
| 578 | AC_CONFIG_TESTDIR(tests/Tesselations)
|
|---|
| 579 | AC_CONFIG_FILES([
|
|---|
| 580 | tests/Tesselations/atlocal
|
|---|
| 581 | tests/Tesselations/Makefile])
|
|---|
| 582 | AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
|
|---|
| 583 | AC_CONFIG_FILES([tests/Tesselations/trianglematcher], [chmod +x tests/Tesselations/trianglematcher])
|
|---|
| 584 |
|
|---|
| 585 | AC_CONFIG_TESTDIR(tests/Examples)
|
|---|
| 586 | AC_CONFIG_FILES([
|
|---|
| 587 | tests/Examples/atlocal
|
|---|
| 588 | tests/Examples/Makefile])
|
|---|
| 589 | AC_CONFIG_FILES([tests/Examples/molecuilder], [chmod +x tests/Examples/molecuilder])
|
|---|
| 590 | AC_CONFIG_FILES([tests/Examples/molecuilder_poolworker], [chmod +x tests/Examples/molecuilder_poolworker])
|
|---|
| 591 |
|
|---|
| 592 | AC_CONFIG_FILES([
|
|---|
| 593 | doc/molecuilder.xml])
|
|---|
| 594 | AC_CONFIG_FILES([
|
|---|
| 595 | doc/userguide/catalog.xml:doc/userguide/catalog.xml.in])
|
|---|
| 596 | AC_CONFIG_FILES([
|
|---|
| 597 | MoleCuilder.pc:MoleCuilder.pc.in])
|
|---|
| 598 | AC_CONFIG_FILES([
|
|---|
| 599 | doc/Makefile
|
|---|
| 600 | doc/userguide/Makefile
|
|---|
| 601 | ])
|
|---|
| 602 | AC_CONFIG_FILES([
|
|---|
| 603 | Makefile
|
|---|
| 604 | python/Makefile
|
|---|
| 605 | src/Makefile
|
|---|
| 606 | src/Bond/AdjacencyMatcher/Makefile
|
|---|
| 607 | src/Tesselation/TriangleMatcher/Makefile
|
|---|
| 608 | ThirdParty/Makefile
|
|---|
| 609 | data/icons/Makefile
|
|---|
| 610 | utils/Makefile
|
|---|
| 611 | ])
|
|---|
| 612 | AC_CONFIG_FILES([
|
|---|
| 613 | src/unittests/Makefile
|
|---|
| 614 | ])
|
|---|
| 615 |
|
|---|
| 616 | # produce python scripts and tests only when python's present
|
|---|
| 617 | AC_CONFIG_TESTDIR([tests/Python])
|
|---|
| 618 | AC_CONFIG_FILES([tests/Python/atlocal])
|
|---|
| 619 | AM_COND_IF([CONDPYTHON],[
|
|---|
| 620 | AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py])
|
|---|
| 621 | AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper])
|
|---|
| 622 | AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run])
|
|---|
| 623 | ])
|
|---|
| 624 | AC_CONFIG_FILES([tests/Python/Makefile])
|
|---|
| 625 |
|
|---|
| 626 | AC_OUTPUT
|
|---|
