[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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[e0f8c8] | 5 | AC_INIT(MoleCuilder, 1.1.4, [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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| 20 | AC_PROG_CC
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[54a746] | 21 | AC_PROG_INSTALL
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[14de469] | 22 |
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[ec188c] | 23 | # use doxygen
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| 24 | DX_HTML_FEATURE(ON)
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| 25 | DX_PS_FEATURE(OFF)
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| 26 | DX_PDF_FEATURE(OFF)
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| 27 | DX_INIT_DOXYGEN(MoleCuilder, Doxyfile, $(docdir))
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| 28 |
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| 29 | # use libtool
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[a0064e] | 30 | LT_INIT([static])
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[861874] | 31 |
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| 32 | # Define these substitions here to keep all version information in one place.
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| 33 | # For information on how to properly maintain the library version information,
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| 34 | # refer to the libtool manual, section "Updating library version information":
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| 35 | # http://www.gnu.org/software/libtool/manual/html_node/Updating-version-info.html
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[e0f8c8] | 36 | AC_SUBST([MOLECUILDER_SO_VERSION], [5:0:0])
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| 37 | AC_SUBST([MOLECUILDER_API_VERSION], [1.1.4])
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[06aedc] | 38 |
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[dc031c] | 39 | dnl this macro is used to get the arguments supplied
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| 40 | dnl to the configure script (./configure --enable-debug)
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| 41 | dnl Check if we have enable debug support.
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| 42 | AC_MSG_CHECKING(whether to enable debugging)
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| 43 | default="no"
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| 44 | have_debug="no"
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| 45 | AC_ARG_ENABLE(debug, [ --enable-debug=[no/yes/full] turn on debugging
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| 46 | [default=$default]],, enable_debug=$default)
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| 47 | if test "x$enable_debug" = "xyes"; then
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| 48 | AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
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| 49 | AC_DEFINE(HAVE_DEBUG,1, ["Use debug setting to compile code."])
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| 50 | have_debug="yes"
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| 51 | elif test "x$enable_debug" = "xfull"; then
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| 52 | AC_DEFINE(MEMDEBUG,1, ["Use memory debugger."])
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| 53 | AC_DEFINE(LOG_OBSERVER,1, ["Use observer log."])
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| 54 | AC_DEFINE(HAVE_DEBUG,2, ["Use debug setting to compile code."])
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[060ba4] | 55 | AC_DEFINE(QT_DEBUG,, ["Enable Qt debug messages."])
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[dc031c] | 56 | have_debug="full"
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| 57 | else
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| 58 | AC_DEFINE(NDEBUG,1, ["Don't compile in debugging code."])
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| 59 | AC_DEFINE(HAVE_DEBUG,0, ["Use debug setting to compile code."])
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[060ba4] | 60 | AC_DEFINE(QT_NO_DEBUG,, ["Disable Qt debug messages."])
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[dc031c] | 61 | have_debug="no"
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| 62 | fi
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| 63 | AC_MSG_RESULT($have_debug)
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| 64 | AC_SUBST(HAVE_DEBUG)
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| 65 |
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| 66 | dnl this macro is used to get the arguments supplied
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| 67 | dnl to the configure script (./configure --enable-debug)
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| 68 | dnl Check if we have enable debug support.
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| 69 | AC_MSG_CHECKING([whether to enable internal caching of values (speedup!)])
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| 70 | default="yes"
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| 71 | AC_ARG_ENABLE(cache, [ --enable-cache=[no/yes] turn on caching
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| 72 | [default=$default]],, enable_cache=$default)
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| 73 | if test "x$enable_cache" = "xno"; then
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| 74 | AC_DEFINE(NO_CACHING,1, ["Don't use caching code."])
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| 75 | AC_DEFINE(HAVE_CACHE,0, ["cache variables to speed up the code."])
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| 76 | AC_MSG_RESULT(no)
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| 77 | else
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| 78 | AC_DEFINE(HAVE_CACHE,1, ["cache variables to speed up the code."])
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| 79 | AC_MSG_RESULT(yes)
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| 80 | fi
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| 81 | AC_SUBST(HAVE_CACHE)
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| 82 |
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| 83 | #AC_MSG_CHECKING(whether to enable profiling)
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| 84 | #default="no"
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| 85 | #AC_ARG_ENABLE(debug, [ --enable-profile=[no/yes] turn on profiling
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| 86 | # [default=$default]],, enable_profile=$default)
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| 87 | #if test "x$enable_profile" = "xyes"; then
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| 88 | # CXXFLAGS="$CXXFLAGS -g -DDEBUG -pg"
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| 89 | # DEBUG=-pg;
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| 90 | # AC_MSG_RESULT(yes)
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| 91 | #else
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| 92 | # AC_MSG_RESULT(no)
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| 93 | #fi
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| 94 |
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| 95 | #AC_MSG_CHECKING(whether to enable serialization)
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| 96 | #default="no"
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| 97 | #AC_ARG_ENABLE(debug, [ --enable-serialization=[no/yes] turn on serialization support
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| 98 | # [default=$default]],, enable_serialization=$default)
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| 99 | #if test "x$enable_serialization" = "xyes"; then
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| 100 | # CXXFLAGS="$CXXFLAGS -DSERIALIZATION"
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| 101 | # serialization=yes;
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| 102 | # AC_MSG_RESULT(yes)
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| 103 | #else
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| 104 | # serialization=no;
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| 105 | # AC_MSG_RESULT(no)
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| 106 | #fi
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| 107 |
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[14de469] | 108 | # Checks for libraries.
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[861874] | 109 | AC_CHECK_LIB(m, sqrt, , AC_MSG_ERROR([compatible libc math library not found]))
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[14de469] | 110 |
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[f08ae7] | 111 | # Boost
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[79de12] | 112 | BOOST_REQUIRE([1.40])
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[f08ae7] | 113 |
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| 114 | # Boost headers only
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| 115 | BOOST_ANY
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| 116 | BOOST_BIND
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| 117 | BOOST_CONVERSION
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[79de12] | 118 | BOOST_EXCEPTION
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[f08ae7] | 119 | BOOST_FOREACH
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| 120 | BOOST_FUNCTION
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| 121 | BOOST_PREPROCESSOR
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| 122 | BOOST_RANDOM
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| 123 | BOOST_SMART_PTR
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| 124 | BOOST_TOKENIZER
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| 125 |
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| 126 | # Boost headers with libraries
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[79de12] | 127 | BOOST_FILESYSTEM
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| 128 | BOOST_PROGRAM_OPTIONS
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[d7d022] | 129 | BOOST_SERIALIZATION
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[79de12] | 130 | BOOST_THREADS
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[fa861b] | 131 |
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[3027f8] | 132 | #QT4 libraries
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[060ba4] | 133 | BNV_HAVE_QT
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| 134 | #gw_CHECK_QT4
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| 135 | #AX_CHECK_GLU
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[dc031c] | 136 | #AC_MSG_NOTICE(["GLU_CFLAGS: $GLU_CFLAGS, GLU_CXXFLAGS: $GLU_CXXFLAGS, GLU_LDFLAGS: $GLU_LDFLAGS, GLU_LIBS: $GLU_LIBS"])
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[cef1d7] | 137 |
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[f08ae7] | 138 |
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[7188b1] | 139 | # CodePatterns library (needs Observer::Channels )
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| 140 | AM_PATH_CODEPATTERNS([1.1.5], $have_debug,,[AC_MSG_ERROR([Missing CodePatterns library, please specify PKG_CONFIG_PATH or use --with-codepatterns...])])
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[3027f8] | 141 |
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[14de469] | 142 | # Checks for header files.
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| 143 | AC_HEADER_STDC
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| 144 | AC_CHECK_HEADERS([sys/time.h])
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| 145 | AC_HEADER_STDBOOL
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| 146 |
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[d3a46d] | 147 | AC_FUNC_MALLOC
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| 148 | AC_FUNC_REALLOC
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| 149 | AC_CHECK_FUNCS([floor pow sqrt strchr])
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| 150 |
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[14de469] | 151 | # Checks for typedefs, structures, and compiler characteristics.
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| 152 | AC_C_CONST
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| 153 | AC_C_INLINE
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| 154 | AC_C_RESTRICT
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| 155 | AC_TYPE_SIZE_T
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| 156 |
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| 157 | # Checks for library functions.
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| 158 | # check for GNU Scientific Library
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[bd3e55] | 159 | AC_CHECK_HEADERS([gsl/gsl_blas.h])
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| 160 | AC_SEARCH_LIBS(dnrm2, goto blas cblas gslblas gslcblas)
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| 161 | AC_CHECK_LIB(gsl, main, [],
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| 162 | [AC_SEARCH_LIBS(cblas_dnrm2, blas cblas gslblas gslcblas)])
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| 163 | AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
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[14de469] | 164 |
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| 165 | # add replacement/saturation hydrogen or not
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| 166 | AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
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| 167 | [enable_hydrogen=$enableval], [enable_hydrogen=yes])
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| 168 | if test x"$enable_hydrogen" = xyes; then
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| 169 | AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
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| 170 | AC_SUBST(ADDHYDROGEN)
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| 171 | fi
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| 172 |
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[490038] | 173 | # use CppUnit TestRunner or not
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[6ac15b] | 174 | AC_ARG_ENABLE([ecut],AS_HELP_STRING([--enable-ecut],[Use ECut TestRunnerClient (default is no)]),
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| 175 | [enable_ecut=$enableval], [enable_ecut=no])
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[9b6b2f] | 176 | if test x"$enable_ecut" = xyes; then
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| 177 | AC_DEFINE(HAVE_ECUT,1, ["Use ECut TestRunnerClient instead of our own."])
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| 178 | AC_SUBST(HAVE_ECUT)
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| 179 | fi
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| 180 |
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[490038] | 181 | # with valgrinding testsuite or not
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| 182 | AC_ARG_WITH([valgrind],AS_HELP_STRING([--with-valgrind],[Use Valgrind on the testsuite (default is no)]),
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| 183 | [with_valgrind=$withval], [with_valgrind=no])
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| 184 | if test x"$with_valgrind" = xyes; then
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| 185 | AC_CHECK_HEADER([valgrind/valgrind.h],
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| 186 | [
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| 187 | # check header
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| 188 | AC_DEFINE(HAVE_VALGRIND_TESTSUITE,1, ["Use Valgrind to check the testsuite."])
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| 189 | # check path
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| 190 | AC_PATH_PROG(VALGRIND, [valgrind], [/bin/false])
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| 191 | # set variables
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| 192 | AC_SUBST(HAVE_VALGRIND_TESTSUITE)
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| 193 | AC_SUBST(VALGRIND)
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| 194 | ],
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| 195 | [
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| 196 | AC_MSG_ERROR(["Valgrind support requested but headers not available."])
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| 197 | ]
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| 198 | )
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| 199 | fi
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| 200 |
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[14de469] | 201 | # Check for "extern inline", using a modified version
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| 202 | # of the test for AC_C_INLINE from acspecific.mt
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| 203 | AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
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| 204 | [ac_cv_c_extern_inline=no
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| 205 | AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
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| 206 | extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
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| 207 | double foo (double x) { return x + 1.0; };],
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| 208 | [ foo(1.0) ],
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| 209 | [ac_cv_c_extern_inline="yes"])
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| 210 | ])
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| 211 |
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| 212 | if test "$ac_cv_c_inline" != no ; then
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| 213 | AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
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| 214 | AC_SUBST(HAVE_INLINE)
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| 215 | fi
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| 216 |
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[bd3e55] | 217 | #AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
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[a19da5d] | 218 |
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[0ca39c] | 219 | # test suite
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[5079a0] | 220 | AC_CONFIG_FILES([
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[689639] | 221 | tests/Makefile])
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| 222 |
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| 223 | AC_CONFIG_TESTDIR(tests/CodeChecks)
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[d0a719] | 224 | AC_CONFIG_FILES([
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| 225 | tests/CodeChecks/atlocal
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| 226 | tests/CodeChecks/Makefile])
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[689639] | 227 |
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[740d40] | 228 | AC_CONFIG_TESTDIR(tests/Fragmentations)
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[038713] | 229 | AC_CONFIG_FILES([
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[740d40] | 230 | tests/Fragmentations/atlocal
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| 231 | tests/Fragmentations/Makefile])
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| 232 | AC_CONFIG_FILES([tests/Fragmentations/molecuilder], [chmod +x tests/Fragmentations/molecuilder])
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[689639] | 233 |
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| 234 | AC_CONFIG_TESTDIR(tests/regression)
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| 235 | AC_CONFIG_FILES([
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| 236 | tests/regression/atlocal
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| 237 | tests/regression/Makefile])
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| 238 | AC_CONFIG_FILES([tests/regression/molecuilder], [chmod +x tests/regression/molecuilder])
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| 239 |
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| 240 | AC_CONFIG_TESTDIR(tests/Tesselations)
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[5079a0] | 241 | AC_CONFIG_FILES([
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[a85f45] | 242 | tests/Tesselations/atlocal
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| 243 | tests/Tesselations/Makefile])
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| 244 | AC_CONFIG_FILES([tests/Tesselations/molecuilder], [chmod +x tests/Tesselations/molecuilder])
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[689639] | 245 |
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[5079a0] | 246 | AC_CONFIG_FILES([
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| 247 | doc/molecuilder.xml])
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[861874] | 248 | AC_CONFIG_FILES([
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[acbe1b] | 249 | MoleCuilder.pc:MoleCuilder.pc.in])
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[5079a0] | 250 | AC_CONFIG_FILES([
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| 251 | Makefile
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[ec188c] | 252 | doc/Makefile
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[5079a0] | 253 | src/Makefile
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[85949a] | 254 | ])
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| 255 | AC_CONFIG_FILES([
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[455573] | 256 | src/unittests/Makefile
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[85949a] | 257 | ])
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[14de469] | 258 | AC_OUTPUT
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