| 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 | AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[debugging level of compiler. Argument is yes or debugging level. (default is no)]),
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| 18 | [enable_debugging=$enableval], [enable_debugging=no])
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| 19 | AC_ARG_ENABLE([optimization],AS_HELP_STRING([--enable-optimization],[Optimization level of compiler. Argument is yes or optimization. (default is 2)]),
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| 20 | [enable_optimization=$enableval], [enable_optimization=2])
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| 21 | AC_ARG_ENABLE([warnings], AS_HELP_STRING([--enable-warnings],[Output compiler warnings, argument is none, some or full (default is some).]),
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| 22 | [enable_warnings=$enableval], [enable_warnings=some])
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| 23 | AC_SET_COMPILER_FLAGS([$enable_optimization], [$enable_debugging], [$enable_warnings])
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| 24 |
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| 25 | # Checks for libraries.
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| 26 | AC_CHECK_LIB(m, sqrt, ,AC_MSG_ERROR([compatible libc math library not found]))
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| 27 |
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| 28 | # Checks for header files.
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| 29 | AC_HEADER_STDC
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| 30 | AC_CHECK_HEADERS([sys/time.h])
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| 31 | AC_HEADER_STDBOOL
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| 32 |
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| 33 | AC_FUNC_MALLOC
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| 34 | AC_FUNC_REALLOC
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| 35 | AC_CHECK_FUNCS([floor pow sqrt strchr])
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| 36 |
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| 37 | # Checks for typedefs, structures, and compiler characteristics.
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| 38 | AC_C_CONST
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| 39 | AC_C_INLINE
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| 40 | AC_C_RESTRICT
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| 41 | AC_TYPE_SIZE_T
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| 42 |
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| 43 | # Checks for library functions.
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| 44 | # check for GNU Scientific Library
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| 45 | AC_CHECK_HEADERS([gsl/gsl_blas.h])
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| 46 | AC_SEARCH_LIBS(dnrm2, goto blas cblas gslblas gslcblas)
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| 47 | AC_CHECK_LIB(gsl, main, [],
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| 48 | [AC_SEARCH_LIBS(cblas_dnrm2, blas cblas gslblas gslcblas)])
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| 49 | AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])
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| 50 |
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| 51 | # add replacement/saturation hydrogen or not
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| 52 | AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]),
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| 53 | [enable_hydrogen=$enableval], [enable_hydrogen=yes])
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| 54 | if test x"$enable_hydrogen" = xyes; then
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| 55 | AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"])
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| 56 | AC_SUBST(ADDHYDROGEN)
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| 57 | fi
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| 58 |
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| 59 | # Check for "extern inline", using a modified version
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| 60 | # of the test for AC_C_INLINE from acspecific.mt
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| 61 | AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
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| 62 | [ac_cv_c_extern_inline=no
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| 63 | AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
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| 64 | extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
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| 65 | double foo (double x) { return x + 1.0; };],
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| 66 | [ foo(1.0) ],
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| 67 | [ac_cv_c_extern_inline="yes"])
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| 68 | ])
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| 69 |
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| 70 | if test "$ac_cv_c_inline" != no ; then
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| 71 | AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
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| 72 | AC_SUBST(HAVE_INLINE)
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| 73 | fi
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| 74 |
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| 75 | #AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
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| 76 |
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| 77 | # test suite
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| 78 | AC_CONFIG_TESTDIR(tests)
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| 79 | AC_CONFIG_FILES([tests/atlocal tests/Makefile])
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| 80 | AC_CONFIG_FILES([tests/molecuilder], [chmod +x tests/molecuilder])
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| 81 |
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| 82 | AC_CONFIG_FILES([Makefile src/Makefile doc/Makefile])
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| 83 | AC_OUTPUT
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