| [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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| [286a967] | 5 | AC_INIT(MoleCuilder, 1.3.3, [heber@ins.uni-bonn.de], [molecuilder], [http://trac.ins.uni-bonn.de/projects/molecuilder/])
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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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| [bf4b9f] | 10 | AC_CONFIG_SUBDIRS([LinearAlgebra])
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| [14de469] | 11 | 
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| [dc322a] | 12 | # parallel-tests: use parallel test druver
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 | 13 | # color-tests: us coloring to indicate success/failure when available
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 | 14 | # tar-pax: use newer tar implementation with longer filename (>99 chars)
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| [4cf35ac] | 15 | AM_INIT_AUTOMAKE([dist-bzip2 1.5 parallel-tests color-tests tar-pax])
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| [14de469] | 16 | 
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 | 17 | # Checks for programs.
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| [54a746] | 18 | AM_PATH_CPPUNIT(1.9.6)
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| [14de469] | 19 | AC_PROG_CXX
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| [54a746] | 20 | AC_PROG_INSTALL
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| [14de469] | 21 | 
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| [c015b3] | 22 | dnl Check if we have enable python
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 | 23 | # python module
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 | 24 | AC_MSG_CHECKING(whether to enable python module)
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| [f99714] | 25 | AC_ARG_ENABLE(
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 | 26 |         [python],
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 | 27 |         AS_HELP_STRING([--enable-python],[turn on python module [default=yes]]),
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 | 28 |         enable_python=$enableval,
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 | 29 |         enable_python="yes")
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| [c015b3] | 30 | AC_MSG_RESULT($enable_python)
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 | 31 | AS_IF([test x"$enable_python" != x"no"],[
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 | 32 |   # Python (for boost::python)
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 | 33 |   AM_PATH_PYTHON([2.2])
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 | 34 |   AX_PYTHON
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 | 35 |   AC_DEFINE(HAVE_PYTHON,1, ["Build python module and scripts."])
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 | 36 | ])
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 | 37 | AM_CONDITIONAL([CONDPYTHON], [test x"$enable_python" != x"no"])
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 | 38 | AC_SUBST(HAVE_PYTHON)
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 | 39 | 
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 | 40 | dnl Check if we have enable qtgui
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| [e5cec4] | 41 | # Qt programs
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| [f99714] | 42 | AC_ARG_WITH(
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 | 43 |         [Qt-bin],
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 | 44 |         [AS_HELP_STRING([--with-Qt-bin], [give path to Qt binaries])],
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| [c015b3] | 45 |         [have_qtgui_path=$withval
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| [f99714] | 46 |          enable_qtgui="yes"],
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 | 47 |         have_qtgui_path="")
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| [c015b3] | 48 | AC_MSG_CHECKING(whether to enable Qt-based GUI)
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| [f99714] | 49 | AC_ARG_ENABLE(
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 | 50 |         [qtgui], 
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 | 51 |         AS_HELP_STRING([--enable-qtgui],[turn on Qt GUI compilation [default=yes]]),
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 | 52 |         enable_qtgui=$enableval,
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 | 53 |         enable_qtgui="yes")
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| [c015b3] | 54 | AC_MSG_RESULT($enable_qtgui)
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 | 55 | AS_IF([test x"$enable_qtgui" != x"no"],[
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 | 56 |         AC_PATH_PROGS([QT_MOC],
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| [e5cec4] | 57 |                 [moc-qt4 moc], 
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 | 58 |                 [AC_MSG_ERROR(["Qts moc not found, please use --with-Qt-bin."])],
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| [c015b3] | 59 |                 [$have_qtgui_path]
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| [e5cec4] | 60 |         )
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 | 61 |         AC_PATH_PROGS([QT_UIC], 
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 | 62 |                 [uic-qt4 uic], 
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 | 63 |                 [AC_MSG_ERROR(["Qts uic not found, please use --with-Qt-bin."])],
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| [c015b3] | 64 |                 [$have_qtgui_path]
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| [e5cec4] | 65 |         )
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| [c015b3] | 66 |         PKG_CHECK_MODULES([QT], [QtCore QtGui Qt3D], [
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 | 67 |         ])
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 | 68 |         AC_SUBST([QT_CFLAGS])
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 | 69 |         AC_SUBST([QT_LIBS])
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 | 70 |         AC_DEFINE(HAVE_QTGUI,1, ["Build Qt-based GUI"])
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| [e5cec4] | 71 | ])
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| [c015b3] | 72 | AM_CONDITIONAL([CONDQTGUI], [test x"$enable_qtgui" != x"no"])
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 | 73 | AC_SUBST(HAVE_QTGUI)
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| [e5cec4] | 74 | 
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| [ec188c] | 75 | # use doxygen
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 | 76 | DX_HTML_FEATURE(ON)
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 | 77 | DX_PS_FEATURE(OFF)
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 | 78 | DX_PDF_FEATURE(OFF)
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| [3158e6] | 79 | DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, ${docdir})
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| [ec188c] | 80 | 
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 | 81 | # use libtool
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| [a0064e] | 82 | LT_INIT([static])
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| [861874] | 83 | 
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 | 84 | # Define these substitions here to keep all version information in one place.
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 | 85 | # For information on how to properly maintain the library version information,
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 | 86 | # refer to the libtool manual, section "Updating library version information":
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 | 87 | # http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
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| [dbe3b9] | 88 | AC_SUBST([MOLECUILDER_SO_VERSION], [10:2:0])
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| [286a967] | 89 | AC_SUBST([MOLECUILDER_API_VERSION], [1.3.3])
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| [06aedc] | 90 | 
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| [dc031c] | 91 | dnl this macro is used to get the arguments supplied
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 | 92 | dnl to the configure script (./configure --enable-debug)
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 | 93 | dnl Check if we have enable debug support.
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 | 94 | AC_MSG_CHECKING(whether to enable debugging)
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 | 95 | have_debug="no"
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| [f99714] | 96 | AC_ARG_ENABLE(
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 | 97 |         [debug],
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 | 98 |         AS_HELP_STRING([--enable-debug],[turn on debugging [default=no]]),
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 | 99 |         enable_debug=$enableval,
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 | 100 |         enable_debug="no")
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 | 101 | AC_MSG_RESULT($enable_debug)
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 | 102 | AS_IF([test x"$enable_debug" = x"yes"],[
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| [dc031c] | 103 |   AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
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 | 104 |   AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
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 | 105 |   have_debug="yes"
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| [f99714] | 106 | ],[
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 | 107 |         AS_IF([test x"$enable_debug" = x"full"],[
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 | 108 |           AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
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 | 109 |           AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
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 | 110 |           AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
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 | 111 |           AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
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 | 112 |           have_debug="full"
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 | 113 |         ],[
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 | 114 |           AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
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 | 115 |           AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
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 | 116 |           AC_DEFINE(QT_NO_DEBUG,, ["Disable Qt debug messages."])
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 | 117 |           have_debug="no"
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 | 118 |         ])
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 | 119 | ])
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| [dc031c] | 120 | AC_SUBST(HAVE_DEBUG)
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 | 121 | 
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 | 122 | dnl this macro is used to get the arguments supplied
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 | 123 | dnl to the configure script (./configure --enable-debug)
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 | 124 | dnl Check if we have enable debug support.
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| [f3b8a5] | 125 | AC_MSG_CHECKING(whether to enable internal caching/lazy evaluation)
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| [f99714] | 126 | AC_ARG_ENABLE(
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 | 127 |         [cache],
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 | 128 |         AS_HELP_STRING([--enable-cache],[turn on internal lazy evaluation [default=yes]]),
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 | 129 |         enable_cache=$enableval,
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 | 130 |         enable_cache="yes")
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| [f3b8a5] | 131 | AC_MSG_RESULT($enable_cache)
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| [f99714] | 132 | AS_IF([test x"$enable_cache" != x"no"],[
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 | 133 |   AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
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 | 134 | ],[
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| [dc031c] | 135 |   AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
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 | 136 |   AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
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| [f99714] | 137 | ])
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| [dc031c] | 138 | AC_SUBST(HAVE_CACHE)
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 | 139 | 
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| [14de469] | 140 | # Checks for libraries.
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| [861874] | 141 | AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
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| [14de469] | 142 | 
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| [f08ae7] | 143 | # Boost
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| [79de12] | 144 | BOOST_REQUIRE([1.40])
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| [f08ae7] | 145 | 
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 | 146 | # Boost headers only
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 | 147 | BOOST_ANY
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| [794bc8] | 148 | BOOST_ARRAY
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| [f08ae7] | 149 | BOOST_BIND
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 | 150 | BOOST_CONVERSION
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| [79de12] | 151 | BOOST_EXCEPTION
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| [f08ae7] | 152 | BOOST_FOREACH
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 | 153 | BOOST_FUNCTION
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| [619a0e] | 154 | BOOST_FUSION
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| [30c753] | 155 | BOOST_ITERATOR
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| [794bc8] | 156 | BOOST_MULTIARRAY
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| [619a0e] | 157 | BOOST_MPL
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| [f08ae7] | 158 | BOOST_PREPROCESSOR
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 | 159 | BOOST_RANDOM
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 | 160 | BOOST_SMART_PTR
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| [7f570c] | 161 | BOOST_STRING_ALGO
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| [f08ae7] | 162 | BOOST_TOKENIZER
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 | 163 | 
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 | 164 | # Boost headers with libraries
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| [79de12] | 165 | BOOST_FILESYSTEM
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| [d920b9] | 166 | BOOST_IOSTREAMS
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| [79de12] | 167 | BOOST_PROGRAM_OPTIONS
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| [c015b3] | 168 | AS_IF([test x"$enable_python" != x"no"], [BOOST_PYTHON])
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| [d7d022] | 169 | BOOST_SERIALIZATION
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| [79de12] | 170 | BOOST_THREADS
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| [fa861b] | 171 | 
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| [f08ae7] | 172 | 
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| [856d05] | 173 | # CodePatterns library (needs boost/exception_ptr.hpp before MemDebug.hpp)
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 | 174 | AM_PATH_CODEPATTERNS([1.2.3], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
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| [3027f8] | 175 | 
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| [004d5c] | 176 | # JobMarket library (needs boost/archive/iserializer.hpp before MemDebug.hpp)
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 | 177 | AC_ARG_ENABLE(
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 | 178 |   [jobmarket],
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 | 179 |   AS_HELP_STRING([--enable-jobmarket],[turn on JobMarket feature [default=yes]]),
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 | 180 |   enable_jobmarket=$enableval,
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 | 181 |   enable_jobmarket="yes")
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 | 182 | AC_MSG_RESULT($enable_jobmarket)
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 | 183 | AS_IF([test x"$enable_jobmarket" != x"no"],[
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| [856d05] | 184 |   # JobMarket library (needs newer ax_jobmarket.m4 and smaller fixes)
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 | 185 |   AM_PATH_JOBMARKET([1.1.1], $have_debug,[
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| [004d5c] | 186 |     # the following is only required if we have JobMarket
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 | 187 |     BOOST_ASIO
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 | 188 |     AC_DEFINE(HAVE_JOBMARKET,1, ["use JobMarket to calculate fragment jobs."])
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 | 189 |     ],[
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 | 190 |       enable_jobmarket="no"
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 | 191 |     ])
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 | 192 | ]
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 | 193 | #[
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 | 194 | #  AC_DEFINE(HAVE_JOBMARKET,0, ["use JobMarket to calculate fragment jobs."])
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 | 195 | #]
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 | 196 | )
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 | 197 | AC_SUBST(HAVE_JOBMARKET)
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 | 198 | AM_CONDITIONAL([CONDJOBMARKET], [test x"$enable_jobmarket" = x"yes"])
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| [3027f8] | 199 | 
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| [d2a0f6d] | 200 | # VMG library
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 | 201 | AC_MSG_CHECKING(whether to compile in long-range support via VMG)
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 | 202 | AC_ARG_ENABLE(
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 | 203 |   [vmg],
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 | 204 |   [AS_HELP_STRING([--enable-vmg], [turn on long-range potential calculation via VMG [default=no]])],
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 | 205 |   [enable_vmg=$enableval],
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 | 206 |   enable_vmg="no")
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 | 207 | AC_MSG_RESULT($enable_vmg)
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 | 208 | AS_IF([test x"$enable_vmg" != x"no"],[
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 | 209 |   PKG_CHECK_MODULES(VMG, VMG >= 0.1)
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 | 210 |   AC_SUBST(VMG_CFLAGS)
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 | 211 |   AC_SUBST(VMG_LIBS)
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| [69c733] | 212 |   AC_DEFINE(HAVE_VMG,1, ["use VMG to calculate long-range contributions."])
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| [8a8c8c] | 213 | 
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 | 214 |   # check whether to use mpi
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 | 215 |   AC_ARG_WITH(
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 | 216 |       [vmg-mpi], 
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 | 217 |       [AS_HELP_STRING([--with-vmg-mpi], [whether to use MPI for communication in VMGJobs])],
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 | 218 |       [with_vmg_mpi=yes],
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 | 219 |       [with_vmg_mpi=no])
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 | 220 |   AS_IF(
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 | 221 |     [test "x$with_vmg_mpi" != xno],
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 | 222 |     [
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 | 223 |       AC_LANG_SAVE
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 | 224 |       AC_LANG_CPLUSPLUS
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 | 225 |       LX_FIND_MPI
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 | 226 |       AC_LANG_RESTORE
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 | 227 |       AS_IF([test "x$have_CXX_mpi" = xyes],[
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 | 228 |             AC_DEFINE([MPICH_SKIP_MPICXX], [1], [Skip C++ bindings])
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 | 229 |             AC_DEFINE([OMPI_SKIP_MPICXX], [1], [Skip C++ bindings])
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 | 230 |             AC_DEFINE([MPI_NO_CPPBIND], [1], [Skip C++ bindings])
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 | 231 |             AC_DEFINE([_MPICC_H], [1], [Skip C++ bindings])
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 | 232 |             AC_DEFINE([MPIBULL_SKIP_MPICXX], [1], [Skip C++ bindings])
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 | 233 |            ])
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 | 234 |     ],
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 | 235 |     [])
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| [d2a0f6d] | 236 | ])
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 | 237 | AM_CONDITIONAL([CONDVMG], [test x"$enable_vmg" = x"yes"])
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| [8a8c8c] | 238 | AM_CONDITIONAL([CONDVMGMPI], [test x"$have_CXX_mpi" = x"yes"])
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| [d2a0f6d] | 239 | 
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 | 240 | 
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| [14de469] | 241 | # Checks for header files.
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 | 242 | AC_HEADER_STDC
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 | 243 | AC_CHECK_HEADERS([sys/time.h])
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 | 244 | AC_HEADER_STDBOOL
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 | 245 | 
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| [d3a46d] | 246 | AC_FUNC_MALLOC
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 | 247 | AC_FUNC_REALLOC
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 | 248 | AC_CHECK_FUNCS([floor pow sqrt strchr])
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 | 249 | 
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| [14de469] | 250 | # Checks for typedefs, structures, and compiler characteristics.
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 | 251 | AC_C_CONST
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 | 252 | AC_C_INLINE
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 | 253 | AC_C_RESTRICT
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 | 254 | AC_TYPE_SIZE_T
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 | 255 | 
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 | 256 | # Checks for library functions.
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 | 257 | # check for GNU Scientific Library
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| [bd3e55] | 258 | AC_CHECK_HEADERS([gsl/gsl_blas.h])
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| [db1a72] | 259 | AC_SEARCH_LIBS(dnrm2, gslblas gslcblas goto blas cblas)
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 | 260 | AC_SEARCH_LIBS(cblas_dnrm2, gslblas gslcblas blas cblas)
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 | 261 | AC_SEARCH_LIBS(gsl_blas_dnrm2,, gsl)
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 | 262 | #AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
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 | 263 | AC_CHECK_LIB(gsl, main)
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| [14de469] | 264 | 
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| [490038] | 265 | # use CppUnit TestRunner or not
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| [f99714] | 266 | AC_MSG_CHECKING(whether to enable ECut TestRunnerClient)
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 | 267 | AC_ARG_ENABLE(
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 | 268 |         [ecut],
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 | 269 |         AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient [default=no]]),
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 | 270 |         enable_ecut=$disableval,
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 | 271 |         enable_ecut="no")
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 | 272 | AC_MSG_RESULT($enable_ecut)
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 | 273 | AS_IF([test x"$enable_ecut" = x"yes"],[
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| [9b6b2f] | 274 |   AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
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 | 275 |   AC_SUBST(HAVE_ECUT)
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| [f99714] | 276 | ])
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| [fbbcde] | 277 | AM_CONDITIONAL([CONDECUT], [test x"$enable_ecut" = x"yes"])
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| [9b6b2f] | 278 | 
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| [490038] | 279 | # with valgrinding testsuite or not
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| [f3b8a5] | 280 | AC_MSG_CHECKING(whether to enable valgrind memory checking in testsuite)
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| [f99714] | 281 | AC_ARG_ENABLE(
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 | 282 |         [valgrind],
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 | 283 |         AS_HELP_STRING([--enable-valgrind],[Use Valgrind on the testsuite [default=no]]),
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 | 284 |         enable_valgrind=$enableval,
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 | 285 |         enable_valgrind="no")
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 | 286 | AC_MSG_RESULT($enable_valgrind)
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 | 287 | AS_IF([test x"$enable_valgrind" = x"yes"], [
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| [490038] | 288 |   AC_CHECK_HEADER([valgrind/valgrind.h],
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 | 289 |     [
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 | 290 |       # check header
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 | 291 |       AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
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 | 292 |       # check path
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 | 293 |       AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
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 | 294 |       # set variables 
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 | 295 |       AC_SUBST(HAVE_VALGRIND_TESTSUITE)
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 | 296 |       AC_SUBST(VALGRIND)
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 | 297 |     ],
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 | 298 |     [
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 | 299 |       AC_MSG_ERROR(["Valgrind support requested but headers not available."])
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 | 300 |     ]
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 | 301 |   )
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| [f3b8a5] | 302 | ])
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| [490038] | 303 | 
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| [14de469] | 304 | # Check for "extern inline", using a modified version
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 | 305 | # of the test for AC_C_INLINE from acspecific.mt
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 | 306 | AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
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 | 307 | [ac_cv_c_extern_inline=no
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 | 308 | AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
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 | 309 | extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
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 | 310 | double foo (double x) { return x + 1.0; };], 
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 | 311 | [  foo(1.0)  ],
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 | 312 | [ac_cv_c_extern_inline="yes"])
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 | 313 | ])
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 | 314 | 
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 | 315 | if test "$ac_cv_c_inline" != no ; then
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 | 316 |   AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
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 | 317 |   AC_SUBST(HAVE_INLINE)
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 | 318 | fi
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 | 319 | 
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| [bd3e55] | 320 | #AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
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| [a19da5d] | 321 | 
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| [0ca39c] | 322 | # test suite
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| [878044] | 323 | 
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| [5079a0] | 324 | AC_CONFIG_FILES([
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| [689639] | 325 |         tests/Makefile])
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 | 326 | 
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 | 327 | AC_CONFIG_TESTDIR(tests/CodeChecks)
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| [d0a719] | 328 | AC_CONFIG_FILES([
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 | 329 |         tests/CodeChecks/atlocal 
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 | 330 |         tests/CodeChecks/Makefile])
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| [689639] | 331 | 
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| [740d40] | 332 | AC_CONFIG_TESTDIR(tests/Fragmentations)
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| [038713] | 333 | AC_CONFIG_FILES([
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| [740d40] | 334 |         tests/Fragmentations/atlocal 
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 | 335 |         tests/Fragmentations/Makefile])
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| [878044] | 336 | AC_CONFIG_FILES([tests/Fragmentations/analyzer], [chmod +x tests/Fragmentations/analyzer])
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 | 337 | AC_CONFIG_FILES([tests/Fragmentations/joiner], [chmod +x tests/Fragmentations/joiner])
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| [740d40] | 338 | AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
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| [689639] | 339 | 
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| [004d5c] | 340 | AC_CONFIG_TESTDIR(tests/JobMarket)
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 | 341 | AC_CONFIG_FILES([
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 | 342 |   tests/JobMarket/atlocal 
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 | 343 |   tests/JobMarket/Makefile])
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 | 344 | AC_CONFIG_FILES([tests/JobMarket/molecuilder], [chmod +x tests/JobMarket/molecuilder])
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 | 345 | 
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| [689639] | 346 | AC_CONFIG_TESTDIR(tests/regression)
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 | 347 | AC_CONFIG_FILES([
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 | 348 |         tests/regression/atlocal 
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 | 349 |         tests/regression/Makefile])
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 | 350 | AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
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 | 351 | 
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 | 352 | AC_CONFIG_TESTDIR(tests/Tesselations)
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| [5079a0] | 353 | AC_CONFIG_FILES([
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| [a85f45] | 354 |         tests/Tesselations/atlocal 
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 | 355 |         tests/Tesselations/Makefile])
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 | 356 | AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
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| [689639] | 357 | 
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| [5079a0] | 358 | AC_CONFIG_FILES([
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 | 359 |         doc/molecuilder.xml])
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| [861874] | 360 | AC_CONFIG_FILES([
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| [878044] | 361 |         MoleCuilder.pc:MoleCuilder.pc.in])
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| [5079a0] | 362 | AC_CONFIG_FILES([
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 | 363 |         Makefile 
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| [ec188c] | 364 |         doc/Makefile
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| [938ffd] | 365 |         src/Makefile
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| [04e1fb] | 366 |         utils/Makefile
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| [85949a] | 367 | ])
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 | 368 | AC_CONFIG_FILES([
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| [878044] | 369 |         src/unittests/Makefile
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| [85949a] | 370 | ])
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| [d0b3aca] | 371 | 
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| [c015b3] | 372 | # produce python scripts and tests only when python's present
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 | 373 | AM_COND_IF([CONDPYTHON],[
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 | 374 |         AC_CONFIG_TESTDIR([tests/Python])
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| [9fd196] | 375 |         AC_CONFIG_FILES([utils/Python/boxmaker.py:utils/Python/boxmaker.py.in], [chmod +x utils/Python/boxmaker.py])
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 | 376 |         AC_CONFIG_FILES([utils/Python/python_wrapper:utils/Python/python_wrapper.in], [chmod +x utils/Python/python_wrapper])
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| [c015b3] | 377 |         AC_CONFIG_FILES([tests/Python/run], [chmod +x tests/Python/run])
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 | 378 |         AC_CONFIG_FILES([tests/Python/atlocal])
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 | 379 |         AC_CONFIG_FILES([tests/Python/Makefile])
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 | 380 | ])
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| [d0b3aca] | 381 | 
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| [14de469] | 382 | AC_OUTPUT
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