[14de469] | 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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[eca0d7] | 5 | AC_INIT(MoleCuilder, 1.6.0, [foo@molecuilder.de], [molecuilder], [http://www.molecuilder.de/])
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[bf4b9f] | 6 | AC_CONFIG_AUX_DIR([build-aux])
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[14de469] | 7 | AC_CONFIG_SRCDIR([src/builder.cpp])
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[861874] | 8 | AC_CONFIG_HEADER([config.h libmolecuilder_config.h])
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| 9 | AC_CONFIG_MACRO_DIR([m4])
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[4ecb2d] | 10 | AC_CONFIG_SUBDIRS([ThirdParty/LinearAlgebra])
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[482400e] | 11 | AC_CONFIG_SUBDIRS([ThirdParty/mpqc_open])
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[14de469] | 12 |
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[dc322a] | 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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[3b35e7] | 16 | AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax subdir-objects])
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[14de469] | 17 |
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| 18 | # Checks for programs.
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| 19 | AC_PROG_CXX
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[54a746] | 20 | AC_PROG_INSTALL
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[14de469] | 21 |
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[0cfc27] | 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 "$CPPUNIT_LIBS")
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| 25 |
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[c015b3] | 26 | dnl Check if we have enable python
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[557b39] | 27 | # python module-
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[c015b3] | 28 | AC_MSG_CHECKING(whether to enable python module)
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[f99714] | 29 | AC_ARG_ENABLE(
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| 30 | [python],
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| 31 | AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
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| 32 | enable_python=$enableval,
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| 33 | enable_python="yes")
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[c015b3] | 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 | AX_PYTHON
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| 39 | AC_DEFINE(HAVE_PYTHON,1, ["Build python module and scripts."])
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| 40 | ])
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| 41 | AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"])
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| 42 | AC_SUBST(HAVE_PYTHON)
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| 43 |
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[74459a] | 44 | dnl Check whether no extra thread for ActionQueue shall be used
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| 45 | AC_MSG_CHECKING(whether to enable ActionQueue's run thread)
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| 46 | AC_ARG_ENABLE(
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| 47 | [action_thread],
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| 48 | AS_HELP_STRING([--enable-action-thread],[turn on extra run thread for ActionQueue [default=yes]]),
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| 49 | enable_action_thread=$enableval,
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| 50 | enable_action_thread="no"
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| 51 | )
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| 52 | AC_MSG_RESULT($enable_action_thread)
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| 53 | AS_IF([test x"$enable_action_thread" != x"no"],[
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| 54 | AC_DEFINE(HAVE_ACTION_THREAD,1, ["Have extra run thread for ActionQueue."])
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| 55 | ])
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| 56 | AM_CONDITIONAL([CONDACTIONTHREAD], [test x"$enable_action_thread" != x"no"])
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| 57 | AC_SUBST(HAVE_ACTION_THREAD)
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| 58 |
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[c015b3] | 59 | dnl Check if we have enable qtgui
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[e5cec4] | 60 | # Qt programs
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[c015b3] | 61 | AC_MSG_CHECKING(whether to enable Qt-based GUI)
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[f99714] | 62 | AC_ARG_ENABLE(
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| 63 | [qtgui],
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| 64 | AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
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| 65 | enable_qtgui=$enableval,
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| 66 | enable_qtgui="yes")
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[c015b3] | 67 | AC_MSG_RESULT($enable_qtgui)
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| 68 | AS_IF([test x"$enable_qtgui" != x"no"],[
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[93909a] | 69 | AC_ARG_WITH(
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| 70 | [Qt-bin],
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| 71 | [AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
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| 72 | [have_qtgui_path=$withval],
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| 73 | have_qtgui_path="")
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[196702] | 74 | AS_IF([test x"$have_qtgui_path" != x""],[
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| 75 | AC_PATH_PROGS([QT_MOC],
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| 76 | [moc-qt4 moc],
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| 77 | [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])],
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| 78 | [$have_qtgui_path]
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| 79 | )
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| 80 | AC_PATH_PROGS([QT_RCC],
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| 81 | [rcc-qt4 rcc],
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| 82 | [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])],
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| 83 | [$have_qtgui_path]
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| 84 | )
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| 85 | AC_PATH_PROGS([QT_UIC],
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| 86 | [uic-qt4 uic],
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| 87 | [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])],
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| 88 | [$have_qtgui_path]
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| 89 | )
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| 90 | ],[
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| 91 | AC_PATH_PROGS([QT_MOC],
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| 92 | [moc-qt4 moc],
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| 93 | [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])]
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| 94 | )
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| 95 | AC_PATH_PROGS([QT_RCC],
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| 96 | [rcc-qt4 rcc],
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| 97 | [AC_MSG_ERROR(["Qts rcc not found, please use --with-Qt-bin."])]
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| 98 | )
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| 99 | AC_PATH_PROGS([QT_UIC],
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| 100 | [uic-qt4 uic],
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| 101 | [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])]
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| 102 | )
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| 103 | ])
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[c015b3] | 104 | PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
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| 105 | ])
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| 106 | AC_SUBST([QT_CFLAGS])
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| 107 | AC_SUBST([QT_LIBS])
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| 108 | AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
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[e5cec4] | 109 | ])
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[c015b3] | 110 | AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
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| 111 | AC_SUBST(HAVE_QTGUI)
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[e5cec4] | 112 |
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[3d61c7] | 113 | dnl Check whether qtgui captures log or not
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| 114 | AC_MSG_CHECKING(whether to capture stdout in qtgui)
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| 115 | AC_ARG_ENABLE(
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| 116 | [qtgui_capture_log],
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| 117 | AS_HELP_STRING([--enable-qtgui-capture-log],[turn on capturing of log inside qtgui [default=yes]]),
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| 118 | enable_qtgui_capture_log=$enableval,
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| 119 | enable_qtgui_capture_log="yes"
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| 120 | )
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| 121 | AC_MSG_RESULT($enable_qtgui_capture_log)
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| 122 | AS_IF([test x"$enable_qtgui_capture_log" != x"no"],[
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| 123 | AC_DEFINE(QT_CAPTURES_LOG,1, ["Have QtGui capture the stdout."])
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| 124 | ])
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| 125 | AC_SUBST(QT_CAPTURES_LOG)
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| 126 |
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| 127 |
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[c76b8b] | 128 | # check additionally for QWT to enable plotting of potentials
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| 129 | AC_MSG_CHECKING(whether to enable Qwt-based plotting)
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| 130 | #enable_qwt=yes
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| 131 | AC_ARG_ENABLE(
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| 132 | [qwt],
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| 133 | AS_HELP_STRING([--enable-qwt],[turn on Qwt compilation [default=yes]]),
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| 134 | enable_qwt=$enableval,
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| 135 | enable_qwt="yes")
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| 136 | AC_MSG_RESULT($enable_qwt)
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| 137 | AS_IF([test x"$enable_qwt" != x"no"],[
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| 138 | MOL_AC_HAVE_QWT_IFELSE(
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| 139 | [
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| 140 | enable_qwt=yes
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| 141 | AC_DEFINE(HAVE_QWT,1, ["Build Qwt-based plotting"])
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| 142 | ],
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| 143 | [
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| 144 | enable_qwt=no
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| 145 | AC_MSG_WARN([Qwt not found, disabling plotting in QtUI.])
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| 146 | ]
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| 147 | )
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| 148 | ])
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| 149 | AM_CONDITIONAL([CONDQWT], [test x"$enable_qwt" != x"no"])
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| 150 | AC_SUBST(HAVE_QWT)
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| 151 |
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[ec188c] | 152 | # use doxygen
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| 153 | DX_HTML_FEATURE(ON)
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| 154 | DX_PS_FEATURE(OFF)
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| 155 | DX_PDF_FEATURE(OFF)
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[3158e6] | 156 | DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
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[ec188c] | 157 |
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[6029a6] | 158 | # use docbook
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| 159 | AX_CHECK_DOCBOOK
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| 160 |
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[ec188c] | 161 | # use libtool
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[a0064e] | 162 | LT_INIT([static])
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[4e8108] | 163 | AC_SUBST([LIBTOOL_DEPS])
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[861874] | 164 |
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| 165 | # Define these substitions here to keep all version information in one place.
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| 166 | # For information on how to properly maintain the library version information,
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| 167 | # refer to the libtool manual, section "Updating library version information":
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| 168 | # http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
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[eca0d7] | 169 | AC_SUBST([MOLECUILDER_SO_VERSION], [17:0:1])
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| 170 | AC_SUBST([MOLECUILDER_API_VERSION], [1.6.0])
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[06aedc] | 171 |
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[dc031c] | 172 | dnl this macro is used to get the arguments supplied
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| 173 | dnl to the configure script (./configure --enable-debug)
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| 174 | dnl Check if we have enable debug support.
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| 175 | AC_MSG_CHECKING(whether to enable debugging)
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| 176 | have_debug="no"
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[f99714] | 177 | AC_ARG_ENABLE(
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| 178 | [debug],
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| 179 | AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
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| 180 | enable_debug=$enableval,
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| 181 | enable_debug="no")
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| 182 | AC_MSG_RESULT($enable_debug)
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| 183 | AS_IF([test x"$enable_debug" = x"yes"],[
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[dc031c] | 184 | AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
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| 185 | AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
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| 186 | have_debug="yes"
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[f99714] | 187 | ],[
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| 188 | AS_IF([test x"$enable_debug" = x"full"],[
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| 189 | AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
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| 190 | AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
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| 191 | AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
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[4d6d6a] | 192 | dnl AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
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[f99714] | 193 | have_debug="full"
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| 194 | ],[
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| 195 | AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
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| 196 | AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
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[4d6d6a] | 197 | AC_DEFINE(QT_NO_DEBUG_OUTPUT,, ["Disable Qt debug messages."])
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[f99714] | 198 | have_debug="no"
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| 199 | ])
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| 200 | ])
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[dc031c] | 201 | AC_SUBST(HAVE_DEBUG)
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| 202 |
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| 203 | dnl this macro is used to get the arguments supplied
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| 204 | dnl to the configure script (./configure --enable-debug)
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| 205 | dnl Check if we have enable debug support.
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[f3b8a5] | 206 | AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
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[f99714] | 207 | AC_ARG_ENABLE(
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| 208 | [cache],
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| 209 | AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
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| 210 | enable_cache=$enableval,
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| 211 | enable_cache="yes")
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[f3b8a5] | 212 | AC_MSG_RESULT($enable_cache)
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[f99714] | 213 | AS_IF([test x"$enable_cache" != x"no"],[
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| 214 | AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
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| 215 | ],[
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[dc031c] | 216 | AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
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| 217 | AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
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[f99714] | 218 | ])
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[dc031c] | 219 | AC_SUBST(HAVE_CACHE)
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| 220 |
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[14de469] | 221 | # Checks for libraries.
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[861874] | 222 | AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
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[14de469] | 223 |
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[7d0a4e] | 224 | # Pthreads
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| 225 | ACX_PTHREAD()
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| 226 |
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[f08ae7] | 227 | # Boost
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[79de12] | 228 | BOOST_REQUIRE([1.40])
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[f08ae7] | 229 |
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| 230 | # Boost headers only
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| 231 | BOOST_ANY
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[794bc8] | 232 | BOOST_ARRAY
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[4f04ab8] | 233 | BOOST_BIMAP
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[f08ae7] | 234 | BOOST_BIND
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[503acc1] | 235 | BOOST_CAST
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[f08ae7] | 236 | BOOST_CONVERSION
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[79de12] | 237 | BOOST_EXCEPTION
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[f08ae7] | 238 | BOOST_FOREACH
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| 239 | BOOST_FUNCTION
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[619a0e] | 240 | BOOST_FUSION
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[4f04ab8] | 241 | BOOST_GRAPH
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[30c753] | 242 | BOOST_ITERATOR
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[794bc8] | 243 | BOOST_MULTIARRAY
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[4da4de] | 244 | BOOST_MULTIINDEXCONTAINER
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[619a0e] | 245 | BOOST_MPL
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[f08ae7] | 246 | BOOST_PREPROCESSOR
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| 247 | BOOST_RANDOM
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| 248 | BOOST_SMART_PTR
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[7f570c] | 249 | BOOST_STRING_ALGO
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[f08ae7] | 250 | BOOST_TOKENIZER
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| 251 |
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| 252 | # Boost headers with libraries
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[79de12] | 253 | BOOST_FILESYSTEM
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[d920b9] | 254 | BOOST_IOSTREAMS
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[79de12] | 255 | BOOST_PROGRAM_OPTIONS
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[c015b3] | 256 | AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
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[d7d022] | 257 | BOOST_SERIALIZATION
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[79de12] | 258 | BOOST_THREADS
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[fa861b] | 259 |
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[f08ae7] | 260 |
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[e2c2b1] | 261 | # CodePatterns library (requiring UnobservedIterator)
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[26dc12] | 262 | compile_codepatterns="no"
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| 263 | AM_PATH_CODEPATTERNS([1.3.2], $have_debug,,[
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| 264 | # compile from ThirdParty
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| 265 | AC_CONFIG_SUBDIRS([ThirdParty/CodePatterns])
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| 266 | compile_codepatterns="yes"
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| 267 | [CodePatterns_LDFLAGS='-L$(top_builddir)/ThirdParty/CodePatterns/src']
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| 268 | [CodePatterns_CFLAGS='-I$(top_srcdir)/ThirdParty/CodePatterns/src']
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| 269 | AS_IF([test x"$enable_debug" != x"no"], [
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| 270 | [CodePatterns_LIBS='-lcodepatterns-debug']
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| 271 | ],[
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| 272 | [CodePatterns_LIBS='-lcodepatterns']
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| 273 | ])
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| 274 | AC_SUBST(CodePatterns_LDFLAGS)
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| 275 | AC_SUBST(CodePatterns_CFLAGS)
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| 276 | AC_SUBST(CodePatterns_LIBS)
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| 277 | #AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])
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| 278 | ])
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[79b089] | 279 | AC_MSG_CHECKING(whether to compile codepatterns)
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| 280 | AC_MSG_RESULT($compile_codepatterns)
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[26dc12] | 281 | AM_CONDITIONAL([COND_COMPILE_CODEPATTERNS], [test x"$compile_codepatterns" = x"yes"])
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[3027f8] | 282 |
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[004d5c] | 283 | # JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
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[830adf] | 284 | AC_MSG_CHECKING(whether to enable jobmarket)
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[004d5c] | 285 | AC_ARG_ENABLE(
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| 286 | [jobmarket],
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| 287 | AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
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| 288 | enable_jobmarket=$enableval,
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| 289 | enable_jobmarket="yes")
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| 290 | AC_MSG_RESULT($enable_jobmarket)
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[2f5562] | 291 | compile_jobmarket="no"
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[79b089] | 292 | AC_MSG_CHECKING(whether to compile jobmarket)
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[004d5c] | 293 | AS_IF([test x"$enable_jobmarket" != x"no"],[
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[b0af1d] | 294 | # the following is only required if we use JobMarket
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| 295 | BOOST_ASIO
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| 296 | AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
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[d6a7b9] | 297 | # JobMarket library (needs SystemCommandJob with suffix)
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[b0af1d] | 298 | AM_PATH_JOBMARKET([1.1.6], $have_debug,
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| 299 | ,[
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[2f5562] | 300 | AC_CONFIG_SUBDIRS([ThirdParty/JobMarket])
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| 301 | compile_jobmarket="yes"
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| 302 | [JobMarket_CFLAGS='-I$(top_srcdir)/ThirdParty/JobMarket/src']
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| 303 | [JobMarket_LDFLAGS='-L$(top_builddir)/ThirdParty/JobMarket/src/JobMarket']
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| 304 | [JobMarket_LIBS='-lJobMarket']
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| 305 | [JobMarket_Controller_LIBS='-lJobMarketController']
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| 306 | [JobMarket_Server_LIBS='-lJobMarketServer']
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| 307 | [JobMarket_PoolWorker_LIBS='-lJobMarketPoolWorker']
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| 308 | AC_SUBST(JobMarket_CFLAGS)
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| 309 | AC_SUBST(JobMarket_LDFLAGS)
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| 310 | AC_SUBST(JobMarket_LIBS)
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| 311 | AC_SUBST(JobMarket_Controller_LIBS)
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| 312 | AC_SUBST(JobMarket_Server_LIBS)
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| 313 | AC_SUBST(JobMarket_PoolWorker_LIBS)
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[004d5c] | 314 | ])
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| 315 | ]
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[79b089] | 316 | AC_MSG_RESULT($compile_jobmarket)
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[004d5c] | 317 | #[
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| 318 | # AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
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| 319 | #]
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| 320 | )
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| 321 | AC_SUBST(HAVE_JOBMARKET)
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[0b738b] | 322 | AM_CONDITIONAL([COND_COMPILE_JOBMARKET], [test x"$compile_jobmarket" = x"yes"])
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[004d5c] | 323 | AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
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[3027f8] | 324 |
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[d2a0f6d] | 325 | # VMG library
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[79b089] | 326 | AC_MSG_CHECKING(whether to compile in long-range support via vmg)
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[d2a0f6d] | 327 | AC_ARG_ENABLE(
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| 328 | [vmg],
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| 329 | [AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])],
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| 330 | [enable_vmg=$enableval],
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| 331 | enable_vmg="no")
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| 332 | AC_MSG_RESULT($enable_vmg)
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[79b089] | 333 | compile_vmg="no"
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| 334 | AC_MSG_CHECKING(whether to compile vmg library)
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[d2a0f6d] | 335 | AS_IF([test x"$enable_vmg" != x"no"],[
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[79b089] | 336 | PKG_CHECK_MODULES(VMG, VMG >= 0.1, [enable_vmg="yes"], [enable_vmg="no"])
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| 337 | AS_IF([test x"$enable_vmg" = x"no"],[
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| 338 | AC_CONFIG_SUBDIRS([ThirdParty/vmg])
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| 339 | compile_vmg="yes"
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| 340 | enable_vmg="yes"
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| 341 | [VMG_CFLAGS='-I$(top_srcdir)/ThirdParty/vmg/src']
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| 342 | [VMG_LDFLAGS='-L$(top_builddir)/ThirdParty/vmg/src']
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| 343 | [VMG_LIBS='-lvmg']
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| 344 | ])
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[d2a0f6d] | 345 | AC_SUBST(VMG_CFLAGS)
|
---|
[79b089] | 346 | AC_SUBST(VMG_LDFLAGS)
|
---|
[d2a0f6d] | 347 | AC_SUBST(VMG_LIBS)
|
---|
[69c733] | 348 | AC_DEFINE(HAVE_VMG,1, ["use VMG to calculate long-range contributions."])
|
---|
[8a8c8c] | 349 |
|
---|
| 350 | # check whether to use mpi
|
---|
| 351 | AC_ARG_WITH(
|
---|
| 352 | [vmg-mpi],
|
---|
| 353 | [AS_HELP_STRING([--with-vmg-mpi], [whether to use MPI for communication in VMGJobs])],
|
---|
| 354 | [with_vmg_mpi=yes],
|
---|
| 355 | [with_vmg_mpi=no])
|
---|
| 356 | AS_IF(
|
---|
| 357 | [test "x$with_vmg_mpi" != xno],
|
---|
| 358 | [
|
---|
| 359 | AC_LANG_SAVE
|
---|
| 360 | AC_LANG_CPLUSPLUS
|
---|
| 361 | LX_FIND_MPI
|
---|
| 362 | AC_LANG_RESTORE
|
---|
| 363 | AS_IF([test "x$have_CXX_mpi" = xyes],[
|
---|
| 364 | AC_DEFINE([MPICH_SKIP_MPICXX], [1], [Skip C++ bindings])
|
---|
| 365 | AC_DEFINE([OMPI_SKIP_MPICXX], [1], [Skip C++ bindings])
|
---|
| 366 | AC_DEFINE([MPI_NO_CPPBIND], [1], [Skip C++ bindings])
|
---|
| 367 | AC_DEFINE([_MPICC_H], [1], [Skip C++ bindings])
|
---|
| 368 | AC_DEFINE([MPIBULL_SKIP_MPICXX], [1], [Skip C++ bindings])
|
---|
[27760e] | 369 | #ac_configure_args="$ac_configure_args --with-mpi-thread=single --with-default-parallel=mpi --with-include=\"$MPI_CXXFLAGS\" --with-libs=\"$MPI_CXXLDFLAGS\""
|
---|
| 370 | ac_configure_args="$ac_configure_args --with-default-parallel=none"
|
---|
[8a8c8c] | 371 | ])
|
---|
| 372 | ],
|
---|
| 373 | [])
|
---|
[d2a0f6d] | 374 | ])
|
---|
[79b089] | 375 | AC_MSG_RESULT($compile_vmg)
|
---|
[d2a0f6d] | 376 | AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"])
|
---|
[8a8c8c] | 377 | AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"])
|
---|
[79b089] | 378 | AM_CONDITIONAL([COND_COMPILE_VMG], [test x"$compile_vmg" = x"yes"])
|
---|
[d2a0f6d] | 379 |
|
---|
| 380 |
|
---|
[f06d52] | 381 | # Check for Levenberg-Marquardt implementation
|
---|
[830adf] | 382 | AC_MSG_CHECKING(whether to enable function fitting via levmar)
|
---|
[48d20d] | 383 | AC_ARG_ENABLE(
|
---|
| 384 | [levmar],
|
---|
| 385 | AS_HELP_STRING([--enable-levmar],[turn on LevMar feature [default=no]]),
|
---|
| 386 | enable_levmar=$enableval,
|
---|
| 387 | enable_levmar="no")
|
---|
[4d5dfa] | 388 | AC_MSG_RESULT($enable_levmar)
|
---|
[b61bd5] | 389 | # don't use AS_IF here as it expands (and tests) AC_F77_FUN even if levmar
|
---|
[4d5dfa] | 390 | # is disabled.
|
---|
[93ea13d] | 391 | compile_levmar="no"
|
---|
[b61bd5] | 392 | AS_IF([test x"$enable_levmar" = xyes],[
|
---|
| 393 | AC_MSG_CHECKING(for levmar presence via given path )
|
---|
[f06d52] | 394 | AC_ARG_WITH(
|
---|
| 395 | [levmar],
|
---|
| 396 | [AS_HELP_STRING([--with-levmar], [give path to LevMar package])],
|
---|
[b61bd5] | 397 | [have_levmar_path=$withval
|
---|
| 398 | enable_levmar=yes],
|
---|
[93ea13d] | 399 | [
|
---|
| 400 | enable_levmar=no
|
---|
| 401 | ])
|
---|
[b61bd5] | 402 | AC_MSG_RESULT($enable_levmar)
|
---|
| 403 | AS_IF([test -n "$have_levmar_path"],[
|
---|
| 404 | LEVMAR_CPPFLAGS="-I${have_levmar_path}/include"
|
---|
| 405 | LEVMAR_LDFLAGS="-L${have_levmar_path}/lib"
|
---|
[93ea13d] | 406 | LEVMAR_LIBS="-llevmar"],
|
---|
| 407 | [PKG_CHECK_MODULES([LEVMAR],[levmar],[enable_levmar=yes],[enable_levmar=no])
|
---|
[b61bd5] | 408 | ])
|
---|
| 409 | ],[enable_levmar=no]
|
---|
| 410 | )
|
---|
[93ea13d] | 411 | if test x"$enable_levmar" = xyes; then
|
---|
| 412 | AX_LAPACK([enable_levmar=yes],
|
---|
| 413 | [enable_levmar=no
|
---|
| 414 | AC_MSG_WARN(["Missing LAPACK, disabling off levmar"])
|
---|
| 415 | ]
|
---|
| 416 | )
|
---|
| 417 | else
|
---|
| 418 | AC_CONFIG_SUBDIRS([ThirdParty/levmar])
|
---|
| 419 | compile_levmar="yes"
|
---|
| 420 | enable_levmar="yes"
|
---|
| 421 | LEVMAR_CPPFLAGS='-I$(top_srcdir)/ThirdParty/levmar/src'
|
---|
| 422 | LEVMAR_LDFLAGS='-L$(top_builddir)/ThirdParty/levmar/src'
|
---|
| 423 | LEVMAR_LIBS='-llevmar'
|
---|
| 424 | fi
|
---|
[b61bd5] | 425 | AC_MSG_CHECKING(for levmar usability)
|
---|
| 426 | AS_IF([test x"$enable_levmar" = xyes],[
|
---|
[f06d52] | 427 | AC_SUBST(LEVMAR_CPPFLAGS)
|
---|
| 428 | AC_SUBST(LEVMAR_LDFLAGS)
|
---|
| 429 | AC_SUBST(LEVMAR_LIBS)
|
---|
[b61bd5] | 430 | AC_DEFINE(HAVE_LEVMAR,1, ["use levmar for non-linear minimisation/potential fitting."])])
|
---|
| 431 | AC_MSG_RESULT($enable_levmar)
|
---|
[f06d52] | 432 | AM_CONDITIONAL([CONDLEVMAR], [test x"$enable_levmar" = x"yes"])
|
---|
[93ea13d] | 433 | AM_CONDITIONAL([COND_COMPILE_LEVMAR], [test x"$compile_levmar" = x"yes"])
|
---|
[f06d52] | 434 |
|
---|
[14de469] | 435 | # Checks for header files.
|
---|
| 436 | AC_HEADER_STDC
|
---|
| 437 | AC_CHECK_HEADERS([sys/time.h])
|
---|
| 438 | AC_HEADER_STDBOOL
|
---|
| 439 |
|
---|
[d3a46d] | 440 | AC_FUNC_MALLOC
|
---|
| 441 | AC_FUNC_REALLOC
|
---|
| 442 | AC_CHECK_FUNCS([floor pow sqrt strchr])
|
---|
| 443 |
|
---|
[14de469] | 444 | # Checks for typedefs, structures, and compiler characteristics.
|
---|
| 445 | AC_C_CONST
|
---|
| 446 | AC_C_INLINE
|
---|
| 447 | AC_C_RESTRICT
|
---|
| 448 | AC_TYPE_SIZE_T
|
---|
| 449 |
|
---|
| 450 | # Checks for library functions.
|
---|
| 451 | # check for GNU Scientific Library
|
---|
[bd3e55] | 452 | AC_CHECK_HEADERS([gsl/gsl_blas.h])
|
---|
[db1a72] | 453 | AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
|
---|
| 454 | AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
|
---|
| 455 | AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
|
---|
| 456 | #AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
|
---|
| 457 | AC_CHECK_LIB(gsl, main)
|
---|
[14de469] | 458 |
|
---|
[490038] | 459 | # use CppUnit TestRunner or not
|
---|
[f99714] | 460 | AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
|
---|
| 461 | AC_ARG_ENABLE(
|
---|
| 462 | [ecut],
|
---|
| 463 | AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
|
---|
| 464 | enable_ecut=$disableval,
|
---|
| 465 | enable_ecut="no")
|
---|
| 466 | AC_MSG_RESULT($enable_ecut)
|
---|
| 467 | AS_IF([test x"$enable_ecut" = x"yes"],[
|
---|
[9b6b2f] | 468 | AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
|
---|
| 469 | AC_SUBST(HAVE_ECUT)
|
---|
[f99714] | 470 | ])
|
---|
[fbbcde] | 471 | AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
|
---|
[9b6b2f] | 472 |
|
---|
[490038] | 473 | # with valgrinding testsuite or not
|
---|
[f3b8a5] | 474 | AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
|
---|
[f99714] | 475 | AC_ARG_ENABLE(
|
---|
| 476 | [valgrind],
|
---|
| 477 | AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
|
---|
| 478 | enable_valgrind=$enableval,
|
---|
| 479 | enable_valgrind="no")
|
---|
| 480 | AC_MSG_RESULT($enable_valgrind)
|
---|
| 481 | AS_IF([test x"$enable_valgrind" = x"yes"], [
|
---|
[490038] | 482 | AC_CHECK_HEADER([valgrind/valgrind.h],
|
---|
| 483 | [
|
---|
| 484 | # check header
|
---|
| 485 | AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
|
---|
| 486 | # check path
|
---|
| 487 | AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
|
---|
| 488 | # set variables
|
---|
| 489 | AC_SUBST(HAVE_VALGRIND_TESTSUITE)
|
---|
| 490 | AC_SUBST(VALGRIND)
|
---|
| 491 | ],
|
---|
| 492 | [
|
---|
| 493 | AC_MSG_ERROR(["Valgrind support requested but headers not available."])
|
---|
| 494 | ]
|
---|
| 495 | )
|
---|
[f3b8a5] | 496 | ])
|
---|
[490038] | 497 |
|
---|
[14de469] | 498 | # Check for "extern inline", using a modified version
|
---|
| 499 | # of the test for AC_C_INLINE from acspecific.mt
|
---|
| 500 | AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
|
---|
| 501 | [ac_cv_c_extern_inline=no
|
---|
| 502 | AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
|
---|
| 503 | extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
|
---|
| 504 | double foo (double x) { return x + 1.0; };],
|
---|
| 505 | [ foo(1.0) ],
|
---|
| 506 | [ac_cv_c_extern_inline="yes"])
|
---|
| 507 | ])
|
---|
| 508 |
|
---|
| 509 | if test "$ac_cv_c_inline" != no ; then
|
---|
| 510 | AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
|
---|
| 511 | AC_SUBST(HAVE_INLINE)
|
---|
| 512 | fi
|
---|
| 513 |
|
---|
[bd3e55] | 514 | #AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
|
---|
[a19da5d] | 515 |
|
---|
[0ca39c] | 516 | # test suite
|
---|
[878044] | 517 |
|
---|
[5079a0] | 518 | AC_CONFIG_FILES([
|
---|
[689639] | 519 | tests/Makefile])
|
---|
| 520 |
|
---|
[abfc95] | 521 | AC_CONFIG_TESTDIR(tests/Calculations)
|
---|
| 522 | AC_CONFIG_FILES([
|
---|
| 523 | tests/Calculations/atlocal
|
---|
| 524 | tests/Calculations/Makefile])
|
---|
| 525 | AC_CONFIG_FILES([tests/Calculations/molecuilder], [chmod +x tests/Calculations/molecuilder])
|
---|
[fbf005] | 526 | AC_CONFIG_FILES([tests/Calculations/molecuilder_poolworker], [chmod +x tests/Calculations/molecuilder_poolworker])
|
---|
[abfc95] | 527 |
|
---|
[689639] | 528 | AC_CONFIG_TESTDIR(tests/CodeChecks)
|
---|
[d0a719] | 529 | AC_CONFIG_FILES([
|
---|
| 530 | tests/CodeChecks/atlocal
|
---|
| 531 | tests/CodeChecks/Makefile])
|
---|
[689639] | 532 |
|
---|
[740d40] | 533 | AC_CONFIG_TESTDIR(tests/Fragmentations)
|
---|
[038713] | 534 | AC_CONFIG_FILES([
|
---|
[740d40] | 535 | tests/Fragmentations/atlocal
|
---|
| 536 | tests/Fragmentations/Makefile])
|
---|
| 537 | AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
|
---|
[689639] | 538 |
|
---|
[0f0407] | 539 | AC_CONFIG_TESTDIR(tests/GuiChecks)
|
---|
| 540 | AC_CONFIG_FILES([
|
---|
| 541 | tests/GuiChecks/atlocal
|
---|
| 542 | tests/GuiChecks/Makefile])
|
---|
| 543 | AC_CONFIG_FILES([tests/GuiChecks/molecuilder], [chmod +x tests/GuiChecks/molecuilder])
|
---|
| 544 | AC_CONFIG_FILES([tests/GuiChecks/molecuilderguitest], [chmod +x tests/GuiChecks/molecuilderguitest])
|
---|
[c66ae6] | 545 | AC_CONFIG_FILES([tests/GuiChecks/adjacencymatcher], [chmod +x tests/GuiChecks/adjacencymatcher])
|
---|
[42b40a] | 546 | AC_CONFIG_FILES([tests/GuiChecks/trianglematcher], [chmod +x tests/GuiChecks/trianglematcher])
|
---|
[0f0407] | 547 |
|
---|
[004d5c] | 548 | AC_CONFIG_TESTDIR(tests/JobMarket)
|
---|
| 549 | AC_CONFIG_FILES([
|
---|
| 550 | tests/JobMarket/atlocal
|
---|
| 551 | tests/JobMarket/Makefile])
|
---|
| 552 | AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
|
---|
| 553 |
|
---|
[83fa5c] | 554 | AC_CONFIG_TESTDIR(tests/integration)
|
---|
| 555 | AC_CONFIG_FILES([
|
---|
| 556 | tests/integration/atlocal
|
---|
| 557 | tests/integration/Makefile])
|
---|
| 558 | AC_CONFIG_FILES([tests/integration/molecuilder], [chmod +x tests/integration/molecuilder])
|
---|
[fbf005] | 559 | AC_CONFIG_FILES([tests/integration/molecuilder_poolworker], [chmod +x tests/integration/molecuilder_poolworker])
|
---|
[83fa5c] | 560 |
|
---|
[689639] | 561 | AC_CONFIG_TESTDIR(tests/regression)
|
---|
| 562 | AC_CONFIG_FILES([
|
---|
| 563 | tests/regression/atlocal
|
---|
| 564 | tests/regression/Makefile])
|
---|
| 565 | AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
|
---|
[c66ae6] | 566 | AC_CONFIG_FILES([tests/regression/adjacencymatcher], [chmod +x tests/regression/adjacencymatcher])
|
---|
[557b39] | 567 | AC_CONFIG_FILES([tests/regression/difffragmentresultcontainer], [chmod +x tests/regression/difffragmentresultcontainer])
|
---|
[7d146a] | 568 | AC_CONFIG_FILES([tests/regression/trianglematcher], [chmod +x tests/regression/trianglematcher])
|
---|
[893426] | 569 | AC_CONFIG_FILES([tests/regression/runpython], [chmod +x tests/regression/runpython])
|
---|
[689639] | 570 |
|
---|
| 571 | AC_CONFIG_TESTDIR(tests/Tesselations)
|
---|
[5079a0] | 572 | AC_CONFIG_FILES([
|
---|
[a85f45] | 573 | tests/Tesselations/atlocal
|
---|
| 574 | tests/Tesselations/Makefile])
|
---|
| 575 | AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
|
---|
[7d146a] | 576 | AC_CONFIG_FILES([tests/Tesselations/trianglematcher], [chmod +x tests/Tesselations/trianglematcher])
|
---|
[689639] | 577 |
|
---|
[4464ef] | 578 | AC_CONFIG_TESTDIR(tests/Examples)
|
---|
| 579 | AC_CONFIG_FILES([
|
---|
| 580 | tests/Examples/atlocal
|
---|
| 581 | tests/Examples/Makefile])
|
---|
| 582 | AC_CONFIG_FILES([tests/Examples/molecuilder], [chmod +x tests/Examples/molecuilder])
|
---|
[fbf005] | 583 | AC_CONFIG_FILES([tests/Examples/molecuilder_poolworker], [chmod +x tests/Examples/molecuilder_poolworker])
|
---|
[4464ef] | 584 |
|
---|
[5079a0] | 585 | AC_CONFIG_FILES([
|
---|
| 586 | doc/molecuilder.xml])
|
---|
[6029a6] | 587 | AC_CONFIG_FILES([
|
---|
| 588 | doc/userguide/catalog.xml:doc/userguide/catalog.xml.in])
|
---|
[861874] | 589 | AC_CONFIG_FILES([
|
---|
[878044] | 590 | MoleCuilder.pc:MoleCuilder.pc.in])
|
---|
[5079a0] | 591 | AC_CONFIG_FILES([
|
---|
[ec188c] | 592 | doc/Makefile
|
---|
[6029a6] | 593 | doc/userguide/Makefile
|
---|
| 594 | ])
|
---|
| 595 | AC_CONFIG_FILES([
|
---|
| 596 | Makefile
|
---|
[7672284] | 597 | python/Makefile
|
---|
[938ffd] | 598 | src/Makefile
|
---|
[c66ae6] | 599 | src/Bond/AdjacencyMatcher/Makefile
|
---|
[7d146a] | 600 | src/Tesselation/TriangleMatcher/Makefile
|
---|
[6e12a6] | 601 | ThirdParty/Makefile
|
---|
[5b991a] | 602 | data/icons/Makefile
|
---|
[04e1fb] | 603 | utils/Makefile
|
---|
[85949a] | 604 | ])
|
---|
| 605 | AC_CONFIG_FILES([
|
---|
[878044] | 606 | src/unittests/Makefile
|
---|
[85949a] | 607 | ])
|
---|
[d0b3aca] | 608 |
|
---|
[c015b3] | 609 | # produce python scripts and tests only when python's present
|
---|
[24e19e] | 610 | AC_CONFIG_TESTDIR([tests/Python])
|
---|
| 611 | AC_CONFIG_FILES([tests/Python/atlocal])
|
---|
[c015b3] | 612 | AM_COND_IF([CONDPYTHON],[
|
---|
[9fd196] | 613 | AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py])
|
---|
| 614 | AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper])
|
---|
[c015b3] | 615 | AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run])
|
---|
| 616 | ])
|
---|
[24e19e] | 617 | AC_CONFIG_FILES([tests/Python/Makefile])
|
---|
[d0b3aca] | 618 |
|
---|
[14de469] | 619 | AC_OUTPUT
|
---|