| 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([ElectronicStructurePACKage], 1.1, heber@ins.uni-bonn.de, ESPACK)
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| 6 | AC_CONFIG_AUX_DIR([config])
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| 7 | AC_CONFIG_SRCDIR([src/pcp.c])
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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 | AC_CANONICAL_HOST
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| 13 |
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| 14 | if test x"$CFLAGS" = x; then
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| 15 | CFLAGS_empty=1
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| 16 | else
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| 17 | CFLAGS_empty=0
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| 18 | fi
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| 19 | if test x"$CXXFLAGS" = x; then
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| 20 | CXXFLAGS_empty=1
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| 21 | else
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| 22 | CXXFLAGS_empty=0
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| 23 | fi
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| 24 |
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| 25 | # Checks for programs.
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| 26 | AC_PROG_CC
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| 27 | AC_PROG_CXX
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| 28 | AC_PATH_PROG([PERL],[perl])
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| 29 | AC_PATH_PROG([TAR],[tar])
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| 30 | AM_MISSING_PROG([DOXYGEN], [doxygen])
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| 31 |
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| 32 | # Resetting C(XX)FLAGS again
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| 33 | if test $CFLAGS_empty -eq 1; then
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| 34 | CFLAGS=""
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| 35 | fi
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| 36 | if test $CXXFLAGS_empty -eq 1; then
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| 37 | CXXFLAGS=""
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| 38 | fi
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| 39 |
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| 40 |
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| 41 | dnl Check for MPI-Routines
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| 42 | AC_ARG_ENABLE([mpi],
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| 43 | AC_HELP_STRING([--enable-mpi],
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| 44 | [build MPI parallel version
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| 45 | (default is yes if MPI code can be compiled)]),
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| 46 | [enable_mpi=$enableval], [enable_mpi=maybe])
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| 47 | disabled_msg="MPI version disabled."
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| 48 | if test x"$enable_mpi" = xyes -o x"$enable_mpi" = xmaybe
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| 49 | then
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| 50 | AC_MSG_NOTICE([checking for MPI features])
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| 51 | ACX_MPI([enable_mpi=yes],
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| 52 | [err_msg="cannot find out how to compile MPI code."
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| 53 | if test x"$enable_mpi" = xyes
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| 54 | then
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| 55 | AC_MSG_ERROR([$err_msg])
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| 56 | else
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| 57 | AC_MSG_WARN([$err_msg $disabled_msg])
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| 58 | enable_mpi=no
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| 59 | fi])
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| 60 | if test x"$enable_mpi" = xyes; then
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| 61 | AC_ARG_VAR([MPILIBS],[necessary libraries to link MPI C code])
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| 62 | AC_ARG_VAR([MPICC],[necessary comnpiler for MPI C code])
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| 63 | AC_ARG_VAR([MPICXX],[necessary comnpiler for MPI CPP code])
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| 64 | #AM_CONDITIONAL([MPIVER], [test x"$enable_mpi" = xyes])
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| 65 | AC_MSG_NOTICE(["MPICC: $MPICC, MPILIBS: $MPILIBS, MPIVER: $MPIVER, CC: $CC"])
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| 66 | # if CC not set, set to MPICC
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| 67 | if ! test x"$MPICC" = x; then
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| 68 | CC="$MPICC"
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| 69 | fi
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| 70 | if ! test x"$MPICXX" = x; then
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| 71 | CXX="$MPICXX"
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| 72 | else
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| 73 | CXX="$MPICC"
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| 74 | fi
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| 75 | if ! test x"$MPILIBS" = x; then
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| 76 | LDFLAGS="$LDFLAGS $MPILIBS"
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| 77 | #AC_CHECK_LIB(mpich, MPI_Allreduce, ,AC_MSG_ERROR([compatible mpich library not found]))
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| 78 | fi
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| 79 | fi
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| 80 | else
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| 81 | AC_MSG_NOTICE([$disabled_msg])
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| 82 | fi
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| 83 |
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| 84 | 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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| 85 | [enable_debugging=$enableval], [enable_debugging=no])
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| 86 | AC_ARG_ENABLE([optimization],AS_HELP_STRING([--enable-optimization],[Optimization level of compiler. Argument is yes or optimization. (default is 2)]),
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| 87 | [enable_optimization=$enableval], [enable_optimization=2])
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| 88 | 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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| 89 | [enable_warnings=$enableval], [enable_warnings=some])
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| 90 | AC_SET_COMPILER_FLAGS([$enable_optimization], [$enable_debugging], [$enable_warnings])
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| 91 |
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| 92 | # Checks for typedefs, structures, and compiler characteristics.
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| 93 | AC_TYPE_PID_T
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| 94 | AC_TYPE_SIZE_T
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| 95 | AC_TYPE_SIGNAL
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| 96 |
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| 97 | AC_C_CONST
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| 98 | AC_C_INLINE
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| 99 | AC_C_VOLATILE
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| 100 | AC_C_RESTRICT
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| 101 |
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| 102 | # Checks for library functions.
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| 103 | # use when adapted: AC_CHECK_FUNCS([floor ftruncate memmove memset mkdir modf pow realpath sqrt strchr strdup strerror strrchr strstr strtol statfs],[],[AC_MSG_WARN([Some functions not found. Compile may fail. Alternate methods may need to be implemented.])])
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| 104 | AC_FUNC_MALLOC
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| 105 | AC_FUNC_REALLOC
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| 106 | AC_TYPE_SIGNAL
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| 107 |
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| 108 | # Checks for fftw libraries and find out version.
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| 109 | AC_CHECK_LIB(m, sqrt, ,AC_MSG_ERROR([compatible libc math library not found]))
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| 110 | AC_CHECK_FUNCS([alarm atexit floor pow sqrt strchr uname strstr strrchr])
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| 111 | FFTW=notfound
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| 112 | RFFTW=notfound
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| 113 | AC_ARG_ENABLE([fftw],
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| 114 | AS_HELP_STRING([--enable-fftw],[build FFTW-2 version (default is yes if fftw2 code can be compiled)]),
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| 115 | [enable_fftw=$enableval], [enable_fftw=maybe])
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| 116 | AC_ARG_ENABLE([dfftw],
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| 117 | AS_HELP_STRING([--enable-dfftw],[build double fftw2 version (default is fftw2)]),
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| 118 | [enable_dfftw=$enableval], [enable_dfftw=maybe])
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| 119 | AC_ARG_ENABLE([fftw3],
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| 120 | AS_HELP_STRING([--enable-fftw3],[build FFTW-3 version (default is fftw2)]),
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| 121 | [enable_fftw3=$enableval], [enable_fftw3=maybe])
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| 122 |
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| 123 | # Checks for header files.
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| 124 | AC_HEADER_STDC
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| 125 | AC_CHECK_HEADERS([sys/time.h unistd.h float.h stddef.h])
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| 126 | AC_HEADER_STDBOOL
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| 127 |
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| 128 | # check for fftw headers and subsequently for libs
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| 129 | # if FFTW=.. set on success condition, -l... is not appended
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| 130 | # .._HEADER doesn't show up in configh.h, .._HEADERS does!
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| 131 | FFTW=notfound
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| 132 | if test x"$FFTW" = xnotfound -o x"$enable_fftw" = xyes; then
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| 133 | FFTW=FFTW
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| 134 | AC_CHECK_HEADERS(fftw.h,
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| 135 | [AC_CHECK_LIB(fftw, fftw_create_plan, , [FFTW=notfound], -lfftw)],
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| 136 | [FFTW=notfound]
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| 137 | )
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| 138 |
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| 139 | AC_CHECK_HEADERS(rfftw.h,
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| 140 | [AC_CHECK_LIB(rfftw, rfftw_create_plan, , [FFTW=notfound],-lrfftw)],
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| 141 | [FFTW=notfound]
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| 142 | )
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| 143 | fi
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| 144 | if test x"$FFTW" = xnotfound -o x"$enable_dfftw" = xyes; then
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| 145 | FFTW=DFFTW
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| 146 | AC_CHECK_HEADERS(dfftw.h,
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| 147 | [AC_CHECK_LIB(dfftw, fftw_create_plan, , [FFTW=notfound],-ldfftw)],
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| 148 | [FFTW=notfound]
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| 149 | )
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| 150 |
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| 151 | AC_CHECK_HEADERS(drfftw.h,
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| 152 | [AC_CHECK_LIB(drfftw, rfftw_create_plan, , [FFTW=notfound],-ldrfftw)],
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| 153 | [FFTW=notfound]
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| 154 | )
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| 155 | fi
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| 156 | if test x"$FFTW" = xnotfound -o x"$enable_fftw3" = xyes; then
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| 157 | FFTW=FFTW3
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| 158 | AC_CHECK_HEADERS(fftw3.h,
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| 159 | [AC_CHECK_LIB(fftw3, fftw_create_plan, , [FFTW=notfound],-lfftw3)],
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| 160 | [FFTW=notfound]
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| 161 | )
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| 162 | fi
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| 163 | # warn if not found
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| 164 | if test x"$FFTW" = xnotfound; then
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| 165 | AC_MSG_WARN(["Missing lib(d)fftw(3) and/or lib(d)rfftw(3).\nIf exist but not in LD_.._PATH, use export LDFLAGS=-L.."])
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| 166 | AC_MSG_WARN(["Or missing header (d)fftw(3).h and/or (d)rfftw.h\nIf exist but not in PATH, use export CFLAGS=-I.."])
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| 167 | fi
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| 168 | # check for GNU Scientific Library
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| 169 | #AC_CHECK_LIB(m,main)
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| 170 | AC_CHECK_HEADERS([gsl/gsl_blas.h])
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| 171 | AC_SEARCH_LIBS(cblas_sdot, blas cblas gslblas gslcblas)
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| 172 | AC_CHECK_LIB(gsl, main)
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| 173 |
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| 174 | dnl Check for "extern inline", using a modified version
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| 175 | dnl of the test for AC_C_INLINE from acspecific.mt
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| 176 | dnl
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| 177 | AC_CACHE_CHECK([for extern inline], ac_cv_c_extern_inline,
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| 178 | [ac_cv_c_extern_inline=no
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| 179 | AC_TRY_COMPILE([extern $ac_cv_c_inline double foo(double x);
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| 180 | extern $ac_cv_c_inline double foo(double x) { return x+1.0; };
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| 181 | double foo (double x) { return x + 1.0; };],
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| 182 | [ foo(1.0) ],
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| 183 | [ac_cv_c_extern_inline="yes"])
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| 184 | ])
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| 185 |
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| 186 | if test "$ac_cv_c_inline" != no ; then
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| 187 | AC_DEFINE(HAVE_INLINE,1, ["May use inline routines"])
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| 188 | AC_SUBST(HAVE_INLINE)
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| 189 | fi
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| 190 |
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| 191 | AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])
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| 192 |
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| 193 | # test suite
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| 194 | AC_CONFIG_TESTDIR(tests)
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| 195 | AC_CONFIG_FILES([tests/atlocal tests/Makefile])
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| 196 | AC_CONFIG_FILES([tests/pcp], [chmod +x tests/pcp])
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| 197 |
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| 198 | AC_CONFIG_FILES([Makefile src/Makefile doc/Makefile])
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| 199 | AC_OUTPUT
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