1 | # -*- Autoconf -*-
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2 | # Process this file with autoconf to produce a configure script.
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3 |
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4 | AC_PREREQ(2.59)
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5 | AC_INIT(Molecuilder, 1.0, heber@ins.uni-bonn.de, molecuilder)
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6 | AC_CONFIG_AUX_DIR(config)
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7 | AC_CONFIG_SRCDIR([src/builder.cpp])
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8 | AC_CONFIG_HEADER([config.h])
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9 |
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10 | AM_INIT_AUTOMAKE(dist-bzip2)
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11 |
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12 | # Checks for programs.
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13 | AC_PROG_CXX
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14 | AC_PROG_CC
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15 | AM_MISSING_PROG([DOXYGEN], [doxygen])
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16 |
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17 |
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18 | # Checks for libraries.
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19 | AC_CHECK_LIB(m, sqrt, ,AC_MSG_ERROR([compatible libc math library not found]))
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20 |
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21 | # Checks for header files.
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22 | AC_HEADER_STDC
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23 | AC_CHECK_HEADERS([sys/time.h])
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24 | AC_HEADER_STDBOOL
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25 |
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26 | AC_FUNC_MALLOC
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27 | AC_FUNC_REALLOC
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28 | AC_CHECK_FUNCS([floor pow sqrt strchr])
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29 |
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30 | # Checks for typedefs, structures, and compiler characteristics.
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31 | AC_C_CONST
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32 | AC_C_INLINE
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33 | AC_C_RESTRICT
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34 | AC_TYPE_SIZE_T
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35 |
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36 | # Checks for library functions.
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37 | # check for GNU Scientific Library
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38 | AC_SEARCH_LIBS(cblas_sdot, blas cblas gslblas gslcblas)
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39 | AC_CHECK_LIB(gsl,main)
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40 |
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41 | # debugging info
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42 | AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information, argument is yes or debugging level (default is no).]),
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43 | [enable_debug=$enableval], [enable_debug=no])
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44 | if ! test x"$enable_debug" = xno; then
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45 | if test x"${enable_debug}" = xyes; then
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46 | CFLAGS="$CFLAGS -g3"
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47 | CXXFLAGS="$CXXFLAGS -g3"
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48 | else
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49 | CFLAGS="$CFLAGS -g${enable_debug}"
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50 | CXXFLAGS="$CXXFLAGS -g${enable_debug}"
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51 | fi
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52 | dnl enable all warnings
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53 | CFLAGS="$CFLAGS -Wall -W -Wstrict-prototypes -Wmissing-prototypes -Wold-style-definition -Wshadow -Wpointer-arith -Wcast-align -Wcast-qual -Wwrite-strings -Wredundant-decls -Wnested-externs -Wmissing-noreturn -Wformat-security -Wmissing-format-attribute -Winit-self"
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54 | CXXFLAGS="$CXXFLAGS -Wall -W -Wshadow -Wpointer-arith -Wcast-align -Wcast-qual -Wwrite-strings -Wredundant-decls -Wmissing-noreturn -Wformat-security -Wmissing-format-attribute -Winit-self"
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55 | AC_DEFINE(HAVE_DEBUG,1, ["Output debugging info"])
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56 | AC_SUBST(HAVE_DEBUG)
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57 | else
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58 | dnl even without debugging we want some minimal info of something's utterly wrong
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59 | CFLAGS="$CFLAGS -Wall"
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60 | CXXFLAGS="$CXXFLAGS -Wall"
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61 | fi
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62 |
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63 | # optimization level
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64 | AC_ARG_ENABLE([optimization],AS_HELP_STRING([--enable-optimization],[Optimization level of compiler. Argument is yes or debugging level. (default is 2)]),
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65 | [enable_optimization=$enableval], [enable_optimization=yes])
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66 | if test ! x"$enable_optimization" = xno; then
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67 | if test x"$enable_debug" = xno; then
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68 | if test x"${enable_optimization}" = xyes; then
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69 | CFLAGS="$CFLAGS -O2"
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70 | CXXFLAGS="$CXXFLAGS -O2"
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71 | else
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72 | CFLAGS="$CFLAGS -O${enable_optimization}"
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73 | CXXFLAGS="$CXXFLAGS -O${enable_optimization}"
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74 | fi
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75 | # else
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76 | # AC_MSG_WARN(["Already specified --enable-debug!"])
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77 | fi
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78 | fi
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79 |
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80 | # add replacement/saturation hydrogen or not
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81 | AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
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82 | [enable_hydrogen=$enableval], [enable_hydrogen=yes])
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83 | if test x"$enable_hydrogen" = xyes; then
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84 | AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
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85 | AC_SUBST(ADDHYDROGEN)
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86 | fi
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87 |
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88 | # Check for "extern inline", using a modified version
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89 | # of the test for AC_C_INLINE from acspecific.mt
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90 | AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
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91 | [ac_cv_c_extern_inline=no
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92 | AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
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93 | extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
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94 | double foo (double x) { return x + 1.0; };],
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95 | [ foo(1.0) ],
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96 | [ac_cv_c_extern_inline="yes"])
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97 | ])
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98 |
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99 | if test "$ac_cv_c_inline" != no ; then
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100 | AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
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101 | AC_SUBST(HAVE_INLINE)
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102 | fi
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103 |
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104 | # test suite
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105 | AC_CONFIG_TESTDIR(tests)
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106 | AC_CONFIG_FILES([tests/atlocal tests/Makefile])
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107 | AC_CONFIG_FILES([tests/molecuilder], [chmod +x tests/molecuilder])
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108 |
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109 | AC_CONFIG_FILES([Makefile src/Makefile doc/Makefile])
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110 | AC_OUTPUT
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