| [a0bcf1] | 1 | #                                               -*- Autoconf -*- | 
|---|
|  | 2 | # Process this file with autoconf to produce a configure script. | 
|---|
|  | 3 |  | 
|---|
|  | 4 | AC_PREREQ(2.59) | 
|---|
|  | 5 | AC_INIT(Molecuilder, 1.0, heber@ins.uni-bonn.de, molecuilder) | 
|---|
|  | 6 | AC_CONFIG_AUX_DIR(config) | 
|---|
|  | 7 | AC_CONFIG_SRCDIR([src/builder.cpp]) | 
|---|
|  | 8 | AC_CONFIG_HEADER([config.h]) | 
|---|
|  | 9 |  | 
|---|
|  | 10 | AM_INIT_AUTOMAKE(dist-bzip2) | 
|---|
|  | 11 |  | 
|---|
|  | 12 | # Checks for programs. | 
|---|
|  | 13 | AC_PROG_CXX | 
|---|
|  | 14 | AC_PROG_CC | 
|---|
|  | 15 | AM_MISSING_PROG([DOXYGEN], [doxygen]) | 
|---|
|  | 16 |  | 
|---|
|  | 17 |  | 
|---|
|  | 18 | # Checks for libraries. | 
|---|
|  | 19 | AC_CHECK_LIB(m, sqrt, ,AC_MSG_ERROR([compatible libc math library not found])) | 
|---|
|  | 20 |  | 
|---|
|  | 21 | # Checks for header files. | 
|---|
|  | 22 | AC_HEADER_STDC | 
|---|
|  | 23 | AC_CHECK_HEADERS([sys/time.h]) | 
|---|
|  | 24 | AC_HEADER_STDBOOL | 
|---|
|  | 25 |  | 
|---|
| [da83f8] | 26 | AC_FUNC_MALLOC | 
|---|
|  | 27 | AC_FUNC_REALLOC | 
|---|
|  | 28 | AC_CHECK_FUNCS([floor pow sqrt strchr]) | 
|---|
|  | 29 |  | 
|---|
| [a0bcf1] | 30 | # Checks for typedefs, structures, and compiler characteristics. | 
|---|
|  | 31 | AC_C_CONST | 
|---|
|  | 32 | AC_C_INLINE | 
|---|
|  | 33 | AC_C_RESTRICT | 
|---|
|  | 34 | AC_TYPE_SIZE_T | 
|---|
|  | 35 |  | 
|---|
|  | 36 | # Checks for library functions. | 
|---|
|  | 37 | # check for GNU Scientific Library | 
|---|
| [201832] | 38 | AC_CHECK_LIB(blas,main) | 
|---|
| [a0bcf1] | 39 | AC_CHECK_LIB(gsl,main) | 
|---|
|  | 40 |  | 
|---|
|  | 41 | # debugging info | 
|---|
| [da83f8] | 42 | AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information, argument is yes or debugging level (default is no).]), | 
|---|
|  | 43 | [enable_debug=$enableval], [enable_debug=no]) | 
|---|
|  | 44 | if ! test x"$enable_debug" = xno; then | 
|---|
|  | 45 | if test x"${enable_debug}" = xyes; then | 
|---|
| [bdba3c] | 46 | CFLAGS="$CFLAGS -g3" | 
|---|
|  | 47 | CXXFLAGS="$CXXFLAGS -g3" | 
|---|
| [da83f8] | 48 | else | 
|---|
| [bdba3c] | 49 | CFLAGS="$CFLAGS -g${enable_debug}" | 
|---|
|  | 50 | CXXFLAGS="$CXXFLAGS -g${enable_debug}" | 
|---|
| [da83f8] | 51 | fi | 
|---|
| [bdba3c] | 52 | dnl enable all warnings | 
|---|
|  | 53 | CFLAGS="$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" | 
|---|
|  | 54 | CXXFLAGS="$CXXFLAGS -Wall -W -Wshadow -Wpointer-arith -Wcast-align -Wcast-qual -Wwrite-strings -Wredundant-decls -Wmissing-noreturn -Wformat-security -Wmissing-format-attribute -Winit-self" | 
|---|
| [a0bcf1] | 55 | AC_DEFINE(HAVE_DEBUG,1, ["Output debugging info"]) | 
|---|
|  | 56 | AC_SUBST(HAVE_DEBUG) | 
|---|
| [bdba3c] | 57 | else | 
|---|
|  | 58 | dnl even without debugging we want some minimal info of something's utterly wrong | 
|---|
|  | 59 | CFLAGS="$CFLAGS -Wall" | 
|---|
|  | 60 | CXXFLAGS="$CXXFLAGS -Wall" | 
|---|
| [a0bcf1] | 61 | fi | 
|---|
|  | 62 |  | 
|---|
| [da83f8] | 63 | # optimization level | 
|---|
|  | 64 | AC_ARG_ENABLE([optimization],AS_HELP_STRING([--enable-optimization],[Optimization level of compiler. Argument is yes or debugging level. (default is 2)]), | 
|---|
|  | 65 | [enable_optimization=$enableval], [enable_optimization=yes]) | 
|---|
|  | 66 | if test ! x"$enable_optimization" = xno; then | 
|---|
|  | 67 | if test x"$enable_debug" = xno; then | 
|---|
|  | 68 | if test x"${enable_optimization}" = xyes; then | 
|---|
| [bdba3c] | 69 | CFLAGS="$CFLAGS -O2" | 
|---|
|  | 70 | CXXFLAGS="$CXXFLAGS -O2" | 
|---|
| [da83f8] | 71 | else | 
|---|
| [bdba3c] | 72 | CFLAGS="$CFLAGS -O${enable_optimization}" | 
|---|
|  | 73 | CXXFLAGS="$CXXFLAGS -O${enable_optimization}" | 
|---|
| [da83f8] | 74 | fi | 
|---|
| [bd7b85] | 75 | #       else | 
|---|
|  | 76 | #               AC_MSG_WARN(["Already specified --enable-debug!"]) | 
|---|
| [da83f8] | 77 | fi | 
|---|
|  | 78 | fi | 
|---|
|  | 79 |  | 
|---|
| [a0bcf1] | 80 | # add replacement/saturation hydrogen or not | 
|---|
|  | 81 | AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]), | 
|---|
|  | 82 | [enable_hydrogen=$enableval], [enable_hydrogen=yes]) | 
|---|
|  | 83 | if test x"$enable_hydrogen" = xyes; then | 
|---|
|  | 84 | AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"]) | 
|---|
|  | 85 | AC_SUBST(ADDHYDROGEN) | 
|---|
|  | 86 | fi | 
|---|
|  | 87 |  | 
|---|
|  | 88 | # Check for "extern inline", using a modified version | 
|---|
|  | 89 | # of the test for AC_C_INLINE from acspecific.mt | 
|---|
|  | 90 | AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline, | 
|---|
|  | 91 | [ac_cv_c_extern_inline=no | 
|---|
|  | 92 | AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x); | 
|---|
|  | 93 | extern $ac_cv_c_inline double foo(double x) { return x+1.0; }; | 
|---|
|  | 94 | double foo (double x) { return x + 1.0; };], | 
|---|
|  | 95 | [  foo(1.0)  ], | 
|---|
|  | 96 | [ac_cv_c_extern_inline="yes"]) | 
|---|
|  | 97 | ]) | 
|---|
|  | 98 |  | 
|---|
|  | 99 | if test "$ac_cv_c_inline" != no ; then | 
|---|
|  | 100 | AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"]) | 
|---|
|  | 101 | AC_SUBST(HAVE_INLINE) | 
|---|
|  | 102 | fi | 
|---|
|  | 103 |  | 
|---|
| [b5279f0] | 104 | # test suite | 
|---|
|  | 105 | AC_CONFIG_TESTDIR(tests) | 
|---|
|  | 106 | AC_CONFIG_FILES([tests/atlocal tests/Makefile]) | 
|---|
|  | 107 | AC_CONFIG_FILES([tests/molecuilder], [chmod +x tests/molecuilder]) | 
|---|
|  | 108 |  | 
|---|
| [a0bcf1] | 109 | AC_CONFIG_FILES([Makefile src/Makefile doc/Makefile]) | 
|---|
|  | 110 | AC_OUTPUT | 
|---|