From 4b30b1ff123a118f1decac2ab64f25ac53b04f06 Mon Sep 17 00:00:00 2001 From: David Miller Date: Wed, 8 Feb 2017 14:13:16 -0500 Subject: [PATCH 1/8] Sets a minimum absolute distortion for randomized coordinates + Default values are 1% and 3% of the original lattice --- inc/header.h | 2 ++ src/atomic_sites.c | 20 +++++++++++++++----- src/tmd_functions.c | 8 ++++++++ 3 files changed, 25 insertions(+), 5 deletions(-) diff --git a/inc/header.h b/inc/header.h index fa6b767..51830f0 100644 --- a/inc/header.h +++ b/inc/header.h @@ -95,6 +95,8 @@ double get_lattice_vector_angle(const int a, const int b); double dtor(double deg) __attribute__ ((const)); int atob(char a) __attribute__ ((pure)); +int get_sign(const double value) __attribute__((const)); + /* test suite related functions */ void test_print_vasp_monolayer(); void test_print_vasp_bulk(); diff --git a/src/atomic_sites.c b/src/atomic_sites.c index 106b885..8d6f137 100644 --- a/src/atomic_sites.c +++ b/src/atomic_sites.c @@ -55,7 +55,9 @@ void make_m_site\ /* used for randomization of coordinates */ double r1 = 0, r2 = 0; /* scale of randomization (default is 3%) */ - double scale = orig_lattice[0] * 0.03; + double min_scale = orig_lattice[0] * 0.01; + double max_scale = orig_lattice[0] * 0.04; + int sign = 1; unsigned ii; @@ -72,11 +74,19 @@ void make_m_site\ if (randomize) { /* - generates are random double between -1.0 and 1.0 and scales it - using the scale variable (default 3% + generates a random value in [-b,-a] U [a,b] where a is a + minimum scaling and b is a maximum scaling */ - r1 = (((1.0*rand()/RAND_MAX)*2.0)-1.0)*scale; - r2 = (((1.0*rand()/RAND_MAX)*2.0)-1.0)*scale; + + /* first we get a value between min_scale and max_scale */ + r1 = ( (1.0*rand()/RAND_MAX)*(max_scale-min_scale) ) + min_scale; + r2 = ( (1.0*rand()/RAND_MAX)*(max_scale-min_scale) ) + min_scale; + + /* gets a random value of either -1 or 1 to switch r1 and r2 */ + sign = get_sign(((1.0*rand()/RAND_MAX)-0.5)); + r1 = r1*sign; + sign = get_sign(((1.0*rand()/RAND_MAX)-0.5)); + r2 = r2*sign; } /* diff --git a/src/tmd_functions.c b/src/tmd_functions.c index 1facad0..f5f75ca 100644 --- a/src/tmd_functions.c +++ b/src/tmd_functions.c @@ -48,3 +48,11 @@ int atob(char a) else if ( (a == 'f') || (a == 'F') ) return 0; else exit(-1); } + +int get_sign(const double value) +{ + if (value < 0) + return -1; + else + return 1; +} From c4fa910febedd15361581dd4260eb6a7f0014b5e Mon Sep 17 00:00:00 2001 From: David Miller Date: Wed, 8 Feb 2017 14:15:20 -0500 Subject: [PATCH 2/8] Update version in Makefile --- Makefile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Makefile b/Makefile index c5da243..f7a3ced 100644 --- a/Makefile +++ b/Makefile @@ -28,7 +28,7 @@ include makefile.include # VERSION (DO NOT EDIT) # ############################################# # # -FLAGS_BASE += -DVERSION='"0.2.0"' # +FLAGS_BASE += -DVERSION='"0.3.0-devel"' # # # ############################################# From f8f438a926b9e2109c6ed5fc5d03d7746f83e990 Mon Sep 17 00:00:00 2001 From: David Miller Date: Thu, 9 Feb 2017 18:22:52 -0500 Subject: [PATCH 3/8] Use -sdt=c99 for make --- Makefile | 2 +- makefile.include | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/Makefile b/Makefile index f7a3ced..570d36c 100644 --- a/Makefile +++ b/Makefile @@ -28,7 +28,7 @@ include makefile.include # VERSION (DO NOT EDIT) # ############################################# # # -FLAGS_BASE += -DVERSION='"0.3.0-devel"' # +FLAGS_BASE += -DVERSION='"0.3.0-devel"' # # # ############################################# diff --git a/makefile.include b/makefile.include index 006ed04..2192ac5 100644 --- a/makefile.include +++ b/makefile.include @@ -84,7 +84,7 @@ GCC_FLAGS=\ #library include flags LDFLAGS= -lm -CFLAGS_BASE=-std=c90 +CFLAGS_BASE=-std=c99 CFLAGS_DEBUG=$(CFLAGS_BASE) CFLAGS_FINAL=$(CFLAGS_BASE) From a33880f99decd2876e7e579061e9d41d30caf5b1 Mon Sep 17 00:00:00 2001 From: David Miller Date: Mon, 13 Feb 2017 15:56:41 -0500 Subject: [PATCH 4/8] Moved build system to GNU autotools --- .gitignore | 1 + COPYING | 1 + INSTALL | 1 + Makefile.am | 80 + Makefile.in | 844 ++++ Makefile => Makefile.old | 0 README.md => README | 0 configure | 4751 ++++++++++++++++++++++ configure.ac | 8 + install-sh | 1 + makefile.include => makefile.include.old | 0 quick-autotool.sh | 6 + {inc => src}/elements.h | 0 {inc => src}/header.h | 0 14 files changed, 5693 insertions(+) create mode 120000 COPYING create mode 120000 INSTALL create mode 100644 Makefile.am create mode 100644 Makefile.in rename Makefile => Makefile.old (100%) rename README.md => README (100%) create mode 100755 configure create mode 100644 configure.ac create mode 120000 install-sh rename makefile.include => makefile.include.old (100%) create mode 100755 quick-autotool.sh rename {inc => src}/elements.h (100%) rename {inc => src}/header.h (100%) diff --git a/.gitignore b/.gitignore index 445c19e..ec65abc 100644 --- a/.gitignore +++ b/.gitignore @@ -30,3 +30,4 @@ bin/* test-output/* +*~ diff --git a/COPYING b/COPYING new file mode 120000 index 0000000..88798ab --- /dev/null +++ b/COPYING @@ -0,0 +1 @@ +/usr/share/automake-1.15/COPYING \ No newline at end of file diff --git a/INSTALL b/INSTALL new file mode 120000 index 0000000..ddcdb76 --- /dev/null +++ b/INSTALL @@ -0,0 +1 @@ +/usr/share/automake-1.15/INSTALL \ No newline at end of file diff --git a/Makefile.am b/Makefile.am new file mode 100644 index 0000000..0eeabfc --- /dev/null +++ b/Makefile.am @@ -0,0 +1,80 @@ +SUFFIXES = .c .h + +WARN_FLAGS = -Wall -Wextra -pedantic $(WARN_EXTRA) +L_FLAGS = -lm + +AM_CFLAGS = $(WARN_FLAGS) -std=c99 +LDADD = $(L_FLAGS) + +bin_PROGRAMS = bin/generateTMDSuperCell +bin_generateTMDSuperCell_SOURCES = src/generateTMDSuperCell.c src/tmd_functions.c src/printing.c\ + src/fractional.c src/atomic_sites.c src/structure.c\ + src/testing.c src/elements.h src/header.h + + +debug: + make clean; make "CFLAGS=$(AM_CFLAGS) $(ERROR_FLAG) $(O_FLAG_0)"; + +optim: + make clean; make "CFLAGS=$(AM_CFLAGS) $(O_FLAG_3)"; + +.PHONY : debug optim + +#extra flags + +O_FLAG_0 = -g3 -pg -O0 +O_FLAG_1 = -g1 -pg -O1 +O_FLAG_2 = -O2 +O_FLAG_3 = -O3 + +WARN_EXTRA = \ +-Wfloat-equal\ +-Wunused\ +-Wunknown-pragmas\ +-Wwrite-strings\ +-Winit-self\ +-Wcast-align\ +-Wcast-qual\ +-Wpointer-arith\ +-Wstrict-aliasing\ +-Wmissing-declarations\ +-Wmissing-include-dirs\ +-Wno-unused-parameter\ +-Wuninitialized\ +-Wcast-align\ +-Wcast-qual\ +-Wdisabled-optimization\ +-Wformat=2\ +-Wredundant-decls\ +-Wshadow\ +-Wstrict-overflow=4\ +-Wswitch-default\ +-Wundef\ +-Wno-unused\ +-Wsign-conversion\ +-Wmissing-format-attribute\ +-Wtype-limits\ +-Wconversion\ +-Wsign-compare\ +-Wmissing-field-initializers\ +-Wno-multichar\ +-Winline\ +$(GCC_WARN_EXTRA) + +GCC_WARN_EXTRA=\ +-Wsuggest-attribute=pure\ +-Wsuggest-attribute=const\ +-Wsuggest-attribute=noreturn\ +-Wlogical-op + +GCC_NEW_WARN_EXTRA=\ +-Wmaybe-uninitialized\ +-Wsuggest-attribute=format\ +-Wnarrowing + +ERROR_FLAG=\ +-Werror\ +-Wno-error=unused-parameter\ +-Wno-error=unused-variable\ +-Wno-error=pedantic + diff --git a/Makefile.in b/Makefile.in new file mode 100644 index 0000000..ef8423a --- /dev/null +++ b/Makefile.in @@ -0,0 +1,844 @@ +# Makefile.in generated by automake 1.15 from Makefile.am. +# @configure_input@ + +# Copyright (C) 1994-2014 Free Software Foundation, Inc. + +# This Makefile.in is free software; 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'((' could +# trigger a bug in pdksh 5.2.14. +for as_var in BASH_ENV ENV MAIL MAILPATH +do eval test x\${$as_var+set} = xset \ + && ( (unset $as_var) || exit 1) >/dev/null 2>&1 && unset $as_var || : +done +PS1='$ ' +PS2='> ' +PS4='+ ' + +# NLS nuisances. +LC_ALL=C +export LC_ALL +LANGUAGE=C +export LANGUAGE + +# CDPATH. +(unset CDPATH) >/dev/null 2>&1 && unset CDPATH + +# Use a proper internal environment variable to ensure we don't fall + # into an infinite loop, continuously re-executing ourselves. + if test x"${_as_can_reexec}" != xno && test "x$CONFIG_SHELL" != x; then + _as_can_reexec=no; export _as_can_reexec; + # We cannot yet assume a decent shell, so we have to provide a +# neutralization value for shells without unset; and this also +# works around shells that cannot unset nonexistent variables. +# Preserve -v and -x to the replacement shell. +BASH_ENV=/dev/null +ENV=/dev/null +(unset BASH_ENV) >/dev/null 2>&1 && unset BASH_ENV ENV +case $- in # (((( + *v*x* | *x*v* ) as_opts=-vx ;; + *v* ) as_opts=-v ;; + *x* ) as_opts=-x ;; + * ) as_opts= ;; +esac +exec $CONFIG_SHELL $as_opts "$as_myself" ${1+"$@"} +# Admittedly, this is quite paranoid, since all the known shells bail +# out after a failed `exec'. +$as_echo "$0: could not re-execute with $CONFIG_SHELL" >&2 +as_fn_exit 255 + fi + # We don't want this to propagate to other subprocesses. + { _as_can_reexec=; unset _as_can_reexec;} +if test "x$CONFIG_SHELL" = x; then + as_bourne_compatible="if test -n \"\${ZSH_VERSION+set}\" && (emulate sh) >/dev/null 2>&1; then : + emulate sh + NULLCMD=: + # Pre-4.2 versions of Zsh do word splitting on \${1+\"\$@\"}, which + # is contrary to our usage. Disable this feature. + alias -g '\${1+\"\$@\"}'='\"\$@\"' + setopt NO_GLOB_SUBST +else + case \`(set -o) 2>/dev/null\` in #( + *posix*) : + set -o posix ;; #( + *) : + ;; +esac +fi +" + as_required="as_fn_return () { (exit \$1); } +as_fn_success () { as_fn_return 0; } +as_fn_failure () { as_fn_return 1; } +as_fn_ret_success () { return 0; } +as_fn_ret_failure () { return 1; } + +exitcode=0 +as_fn_success || { exitcode=1; echo as_fn_success failed.; } +as_fn_failure && { exitcode=1; echo as_fn_failure succeeded.; } +as_fn_ret_success || { exitcode=1; echo as_fn_ret_success failed.; } +as_fn_ret_failure && { exitcode=1; echo as_fn_ret_failure succeeded.; } +if ( set x; as_fn_ret_success y && test x = \"\$1\" ); then : + +else + exitcode=1; echo positional parameters were not saved. +fi +test x\$exitcode = x0 || exit 1 +test -x / || exit 1" + as_suggested=" as_lineno_1=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_1a=\$LINENO + as_lineno_2=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_2a=\$LINENO + eval 'test \"x\$as_lineno_1'\$as_run'\" != \"x\$as_lineno_2'\$as_run'\" && + test \"x\`expr \$as_lineno_1'\$as_run' + 1\`\" = \"x\$as_lineno_2'\$as_run'\"' || exit 1" + if (eval "$as_required") 2>/dev/null; then : + as_have_required=yes +else + as_have_required=no +fi + if test x$as_have_required = xyes && (eval "$as_suggested") 2>/dev/null; then : + +else + as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +as_found=false +for as_dir in /bin$PATH_SEPARATOR/usr/bin$PATH_SEPARATOR$PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + as_found=: + case $as_dir in #( + /*) + for as_base in sh bash ksh sh5; do + # Try only shells that exist, to save several forks. + as_shell=$as_dir/$as_base + if { test -f "$as_shell" || test -f "$as_shell.exe"; } && + { $as_echo "$as_bourne_compatible""$as_required" | as_run=a "$as_shell"; } 2>/dev/null; then : + CONFIG_SHELL=$as_shell as_have_required=yes + if { $as_echo "$as_bourne_compatible""$as_suggested" | as_run=a "$as_shell"; } 2>/dev/null; then : + break 2 +fi +fi + done;; + esac + as_found=false +done +$as_found || { if { test -f "$SHELL" || test -f "$SHELL.exe"; } && + { $as_echo "$as_bourne_compatible""$as_required" | as_run=a "$SHELL"; } 2>/dev/null; then : + CONFIG_SHELL=$SHELL as_have_required=yes +fi; } +IFS=$as_save_IFS + + + if test "x$CONFIG_SHELL" != x; then : + export CONFIG_SHELL + # We cannot yet assume a decent shell, so we have to provide a +# neutralization value for shells without unset; and this also +# works around shells that cannot unset nonexistent variables. +# Preserve -v and -x to the replacement shell. +BASH_ENV=/dev/null +ENV=/dev/null +(unset BASH_ENV) >/dev/null 2>&1 && unset BASH_ENV ENV +case $- in # (((( + *v*x* | *x*v* ) as_opts=-vx ;; + *v* ) as_opts=-v ;; + *x* ) as_opts=-x ;; + * ) as_opts= ;; +esac +exec $CONFIG_SHELL $as_opts "$as_myself" ${1+"$@"} +# Admittedly, this is quite paranoid, since all the known shells bail +# out after a failed `exec'. +$as_echo "$0: could not re-execute with $CONFIG_SHELL" >&2 +exit 255 +fi + + if test x$as_have_required = xno; then : + $as_echo "$0: This script requires a shell more modern than all" + $as_echo "$0: the shells that I found on your system." + if test x${ZSH_VERSION+set} = xset ; then + $as_echo "$0: In particular, zsh $ZSH_VERSION has bugs and should" + $as_echo "$0: be upgraded to zsh 4.3.4 or later." + else + $as_echo "$0: Please tell bug-autoconf@gnu.org and David Miller +$0: about your system, including any +$0: error possibly output before this message. Then install +$0: a modern shell, or manually run the script under such a +$0: shell if you do have one." + fi + exit 1 +fi +fi +fi +SHELL=${CONFIG_SHELL-/bin/sh} +export SHELL +# Unset more variables known to interfere with behavior of common tools. +CLICOLOR_FORCE= GREP_OPTIONS= +unset CLICOLOR_FORCE GREP_OPTIONS + +## --------------------- ## +## M4sh Shell Functions. ## +## --------------------- ## +# as_fn_unset VAR +# --------------- +# Portably unset VAR. +as_fn_unset () +{ + { eval $1=; unset $1;} +} +as_unset=as_fn_unset + +# as_fn_set_status STATUS +# ----------------------- +# Set $? to STATUS, without forking. +as_fn_set_status () +{ + return $1 +} # as_fn_set_status + +# as_fn_exit STATUS +# ----------------- +# Exit the shell with STATUS, even in a "trap 0" or "set -e" context. +as_fn_exit () +{ + set +e + as_fn_set_status $1 + exit $1 +} # as_fn_exit + +# as_fn_mkdir_p +# ------------- +# Create "$as_dir" as a directory, including parents if necessary. +as_fn_mkdir_p () +{ + + case $as_dir in #( + -*) as_dir=./$as_dir;; + esac + test -d "$as_dir" || eval $as_mkdir_p || { + as_dirs= + while :; do + case $as_dir in #( + *\'*) as_qdir=`$as_echo "$as_dir" | sed "s/'/'\\\\\\\\''/g"`;; #'( + *) as_qdir=$as_dir;; + esac + as_dirs="'$as_qdir' $as_dirs" + as_dir=`$as_dirname -- "$as_dir" || +$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \ + X"$as_dir" : 'X\(//\)[^/]' \| \ + X"$as_dir" : 'X\(//\)$' \| \ + X"$as_dir" : 'X\(/\)' \| . 2>/dev/null || +$as_echo X"$as_dir" | + sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ + s//\1/ + q + } + /^X\(\/\/\)[^/].*/{ + s//\1/ + q + } + /^X\(\/\/\)$/{ + s//\1/ + q + } + /^X\(\/\).*/{ + s//\1/ + q + } + s/.*/./; q'` + test -d "$as_dir" && break + done + test -z "$as_dirs" || eval "mkdir $as_dirs" + } || test -d "$as_dir" || as_fn_error $? "cannot create directory $as_dir" + + +} # as_fn_mkdir_p + +# as_fn_executable_p FILE +# ----------------------- +# Test if FILE is an executable regular file. +as_fn_executable_p () +{ + test -f "$1" && test -x "$1" +} # as_fn_executable_p +# as_fn_append VAR VALUE +# ---------------------- +# Append the text in VALUE to the end of the definition contained in VAR. Take +# advantage of any shell optimizations that allow amortized linear growth over +# repeated appends, instead of the typical quadratic growth present in naive +# implementations. +if (eval "as_var=1; as_var+=2; test x\$as_var = x12") 2>/dev/null; then : + eval 'as_fn_append () + { + eval $1+=\$2 + }' +else + as_fn_append () + { + eval $1=\$$1\$2 + } +fi # as_fn_append + +# as_fn_arith ARG... +# ------------------ +# Perform arithmetic evaluation on the ARGs, and store the result in the +# global $as_val. Take advantage of shells that can avoid forks. The arguments +# must be portable across $(()) and expr. +if (eval "test \$(( 1 + 1 )) = 2") 2>/dev/null; then : + eval 'as_fn_arith () + { + as_val=$(( $* )) + }' +else + as_fn_arith () + { + as_val=`expr "$@" || test $? -eq 1` + } +fi # as_fn_arith + + +# as_fn_error STATUS ERROR [LINENO LOG_FD] +# ---------------------------------------- +# Output "`basename $0`: error: ERROR" to stderr. If LINENO and LOG_FD are +# provided, also output the error to LOG_FD, referencing LINENO. Then exit the +# script with STATUS, using 1 if that was 0. +as_fn_error () +{ + as_status=$1; test $as_status -eq 0 && as_status=1 + if test "$4"; then + as_lineno=${as_lineno-"$3"} as_lineno_stack=as_lineno_stack=$as_lineno_stack + $as_echo "$as_me:${as_lineno-$LINENO}: error: $2" >&$4 + fi + $as_echo "$as_me: error: $2" >&2 + as_fn_exit $as_status +} # as_fn_error + +if expr a : '\(a\)' >/dev/null 2>&1 && + test "X`expr 00001 : '.*\(...\)'`" = X001; then + as_expr=expr +else + as_expr=false +fi + +if (basename -- /) >/dev/null 2>&1 && test "X`basename -- / 2>&1`" = "X/"; then + as_basename=basename +else + as_basename=false +fi + +if (as_dir=`dirname -- /` && test "X$as_dir" = X/) >/dev/null 2>&1; then + as_dirname=dirname +else + as_dirname=false +fi + +as_me=`$as_basename -- "$0" || +$as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \ + X"$0" : 'X\(//\)$' \| \ + X"$0" : 'X\(/\)' \| . 2>/dev/null || +$as_echo X/"$0" | + sed '/^.*\/\([^/][^/]*\)\/*$/{ + s//\1/ + q + } + /^X\/\(\/\/\)$/{ + s//\1/ + q + } + /^X\/\(\/\).*/{ + s//\1/ + q + } + s/.*/./; q'` + +# Avoid depending upon Character Ranges. +as_cr_letters='abcdefghijklmnopqrstuvwxyz' +as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ' +as_cr_Letters=$as_cr_letters$as_cr_LETTERS +as_cr_digits='0123456789' +as_cr_alnum=$as_cr_Letters$as_cr_digits + + + as_lineno_1=$LINENO as_lineno_1a=$LINENO + as_lineno_2=$LINENO as_lineno_2a=$LINENO + eval 'test "x$as_lineno_1'$as_run'" != "x$as_lineno_2'$as_run'" && + test "x`expr $as_lineno_1'$as_run' + 1`" = "x$as_lineno_2'$as_run'"' || { + # Blame Lee E. McMahon (1931-1989) for sed's syntax. :-) + sed -n ' + p + /[$]LINENO/= + ' <$as_myself | + sed ' + s/[$]LINENO.*/&-/ + t lineno + b + :lineno + N + :loop + s/[$]LINENO\([^'$as_cr_alnum'_].*\n\)\(.*\)/\2\1\2/ + t loop + s/-\n.*// + ' >$as_me.lineno && + chmod +x "$as_me.lineno" || + { $as_echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2; as_fn_exit 1; } + + # If we had to re-execute with $CONFIG_SHELL, we're ensured to have + # already done that, so ensure we don't try to do so again and fall + # in an infinite loop. This has already happened in practice. + _as_can_reexec=no; export _as_can_reexec + # Don't try to exec as it changes $[0], causing all sort of problems + # (the dirname of $[0] is not the place where we might find the + # original and so on. Autoconf is especially sensitive to this). + . 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Don't cache a + # value for INSTALL within a source directory, because that will + # break other packages using the cache if that directory is + # removed, or if the value is a relative name. + INSTALL=$ac_install_sh + fi +fi +{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $INSTALL" >&5 +$as_echo "$INSTALL" >&6; } + +# Use test -z because SunOS4 sh mishandles braces in ${var-val}. +# It thinks the first close brace ends the variable substitution. +test -z "$INSTALL_PROGRAM" && INSTALL_PROGRAM='${INSTALL}' + +test -z "$INSTALL_SCRIPT" && INSTALL_SCRIPT='${INSTALL}' + +test -z "$INSTALL_DATA" && INSTALL_DATA='${INSTALL} -m 644' + +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether build environment is sane" >&5 +$as_echo_n "checking whether build environment is sane... " >&6; } +# Reject unsafe characters in $srcdir or the absolute working directory +# name. Accept space and tab only in the latter. +am_lf=' +' +case `pwd` in + *[\\\"\#\$\&\'\`$am_lf]*) + as_fn_error $? "unsafe absolute working directory name" "$LINENO" 5;; +esac +case $srcdir in + *[\\\"\#\$\&\'\`$am_lf\ \ ]*) + as_fn_error $? "unsafe srcdir value: '$srcdir'" "$LINENO" 5;; +esac + +# Do 'set' in a subshell so we don't clobber the current shell's +# arguments. Must try -L first in case configure is actually a +# symlink; some systems play weird games with the mod time of symlinks +# (eg FreeBSD returns the mod time of the symlink's containing +# directory). +if ( + am_has_slept=no + for am_try in 1 2; do + echo "timestamp, slept: $am_has_slept" > conftest.file + set X `ls -Lt "$srcdir/configure" conftest.file 2> /dev/null` + if test "$*" = "X"; then + # -L didn't work. + set X `ls -t "$srcdir/configure" conftest.file` + fi + if test "$*" != "X $srcdir/configure conftest.file" \ + && test "$*" != "X conftest.file $srcdir/configure"; then + + # If neither matched, then we have a broken ls. This can happen + # if, for instance, CONFIG_SHELL is bash and it inherits a + # broken ls alias from the environment. This has actually + # happened. Such a system could not be considered "sane". + as_fn_error $? "ls -t appears to fail. Make sure there is not a broken + alias in your environment" "$LINENO" 5 + fi + if test "$2" = conftest.file || test $am_try -eq 2; then + break + fi + # Just in case. + sleep 1 + am_has_slept=yes + done + test "$2" = conftest.file + ) +then + # Ok. + : +else + as_fn_error $? "newly created file is older than distributed files! +Check your system clock" "$LINENO" 5 +fi +{ $as_echo "$as_me:${as_lineno-$LINENO}: result: yes" >&5 +$as_echo "yes" >&6; } +# If we didn't sleep, we still need to ensure time stamps of config.status and +# generated files are strictly newer. +am_sleep_pid= +if grep 'slept: no' conftest.file >/dev/null 2>&1; then + ( sleep 1 ) & + am_sleep_pid=$! +fi + +rm -f conftest.file + +test "$program_prefix" != NONE && + program_transform_name="s&^&$program_prefix&;$program_transform_name" +# Use a double $ so make ignores it. +test "$program_suffix" != NONE && + program_transform_name="s&\$&$program_suffix&;$program_transform_name" +# Double any \ or $. +# By default was `s,x,x', remove it if useless. +ac_script='s/[\\$]/&&/g;s/;s,x,x,$//' +program_transform_name=`$as_echo "$program_transform_name" | sed "$ac_script"` + +# Expand $ac_aux_dir to an absolute path. +am_aux_dir=`cd "$ac_aux_dir" && pwd` + +if test x"${MISSING+set}" != xset; then + case $am_aux_dir in + *\ * | *\ *) + MISSING="\${SHELL} \"$am_aux_dir/missing\"" ;; + *) + MISSING="\${SHELL} $am_aux_dir/missing" ;; + esac +fi +# Use eval to expand $SHELL +if eval "$MISSING --is-lightweight"; then + am_missing_run="$MISSING " +else + am_missing_run= + { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: 'missing' script is too old or missing" >&5 +$as_echo "$as_me: WARNING: 'missing' script is too old or missing" >&2;} +fi + +if test x"${install_sh+set}" != xset; then + case $am_aux_dir in + *\ * | *\ *) + install_sh="\${SHELL} '$am_aux_dir/install-sh'" ;; + *) + install_sh="\${SHELL} $am_aux_dir/install-sh" + esac +fi + +# Installed binaries are usually stripped using 'strip' when the user +# run "make install-strip". However 'strip' might not be the right +# tool to use in cross-compilation environments, therefore Automake +# will honor the 'STRIP' environment variable to overrule this program. +if test "$cross_compiling" != no; then + if test -n "$ac_tool_prefix"; then + # Extract the first word of "${ac_tool_prefix}strip", so it can be a program name with args. +set dummy ${ac_tool_prefix}strip; ac_word=$2 +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 +$as_echo_n "checking for $ac_word... " >&6; } +if ${ac_cv_prog_STRIP+:} false; then : + $as_echo_n "(cached) " >&6 +else + if test -n "$STRIP"; then + ac_cv_prog_STRIP="$STRIP" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_STRIP="${ac_tool_prefix}strip" + $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done + done +IFS=$as_save_IFS + +fi +fi +STRIP=$ac_cv_prog_STRIP +if test -n "$STRIP"; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: $STRIP" >&5 +$as_echo "$STRIP" >&6; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +fi + + +fi +if test -z "$ac_cv_prog_STRIP"; then + ac_ct_STRIP=$STRIP + # Extract the first word of "strip", so it can be a program name with args. +set dummy strip; ac_word=$2 +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 +$as_echo_n "checking for $ac_word... " >&6; } +if ${ac_cv_prog_ac_ct_STRIP+:} false; then : + $as_echo_n "(cached) " >&6 +else + if test -n "$ac_ct_STRIP"; then + ac_cv_prog_ac_ct_STRIP="$ac_ct_STRIP" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_ac_ct_STRIP="strip" + $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done + done +IFS=$as_save_IFS + +fi +fi +ac_ct_STRIP=$ac_cv_prog_ac_ct_STRIP +if test -n "$ac_ct_STRIP"; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_STRIP" >&5 +$as_echo "$ac_ct_STRIP" >&6; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +fi + + if test "x$ac_ct_STRIP" = x; then + STRIP=":" + else + case $cross_compiling:$ac_tool_warned in +yes:) +{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 +$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} +ac_tool_warned=yes ;; +esac + STRIP=$ac_ct_STRIP + fi +else + STRIP="$ac_cv_prog_STRIP" +fi + +fi +INSTALL_STRIP_PROGRAM="\$(install_sh) -c -s" + +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for a thread-safe mkdir -p" >&5 +$as_echo_n "checking for a thread-safe mkdir -p... " >&6; } +if test -z "$MKDIR_P"; then + if ${ac_cv_path_mkdir+:} false; then : + $as_echo_n "(cached) " >&6 +else + as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH$PATH_SEPARATOR/opt/sfw/bin +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_prog in mkdir gmkdir; do + for ac_exec_ext in '' $ac_executable_extensions; do + as_fn_executable_p "$as_dir/$ac_prog$ac_exec_ext" || continue + case `"$as_dir/$ac_prog$ac_exec_ext" --version 2>&1` in #( + 'mkdir (GNU coreutils) '* | \ + 'mkdir (coreutils) '* | \ + 'mkdir (fileutils) '4.1*) + ac_cv_path_mkdir=$as_dir/$ac_prog$ac_exec_ext + break 3;; + esac + done + done + done +IFS=$as_save_IFS + +fi + + test -d ./--version && rmdir ./--version + if test "${ac_cv_path_mkdir+set}" = set; then + MKDIR_P="$ac_cv_path_mkdir -p" + else + # As a last resort, use the slow shell script. Don't cache a + # value for MKDIR_P within a source directory, because that will + # break other packages using the cache if that directory is + # removed, or if the value is a relative name. + MKDIR_P="$ac_install_sh -d" + fi +fi +{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $MKDIR_P" >&5 +$as_echo "$MKDIR_P" >&6; } + +for ac_prog in gawk mawk nawk awk +do + # Extract the first word of "$ac_prog", so it can be a program name with args. +set dummy $ac_prog; ac_word=$2 +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 +$as_echo_n "checking for $ac_word... " >&6; } +if ${ac_cv_prog_AWK+:} false; then : + $as_echo_n "(cached) " >&6 +else + if test -n "$AWK"; then + ac_cv_prog_AWK="$AWK" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_AWK="$ac_prog" + $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done + done +IFS=$as_save_IFS + +fi +fi +AWK=$ac_cv_prog_AWK +if test -n "$AWK"; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: $AWK" >&5 +$as_echo "$AWK" >&6; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +fi + + + test -n "$AWK" && break +done + +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether ${MAKE-make} sets \$(MAKE)" >&5 +$as_echo_n "checking whether ${MAKE-make} sets \$(MAKE)... " >&6; } +set x ${MAKE-make} +ac_make=`$as_echo "$2" | sed 's/+/p/g; s/[^a-zA-Z0-9_]/_/g'` +if eval \${ac_cv_prog_make_${ac_make}_set+:} false; then : + $as_echo_n "(cached) " >&6 +else + cat >conftest.make <<\_ACEOF +SHELL = /bin/sh +all: + @echo '@@@%%%=$(MAKE)=@@@%%%' +_ACEOF +# GNU make sometimes prints "make[1]: Entering ...", which would confuse us. +case `${MAKE-make} -f conftest.make 2>/dev/null` in + *@@@%%%=?*=@@@%%%*) + eval ac_cv_prog_make_${ac_make}_set=yes;; + *) + eval ac_cv_prog_make_${ac_make}_set=no;; +esac +rm -f conftest.make +fi +if eval test \$ac_cv_prog_make_${ac_make}_set = yes; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: yes" >&5 +$as_echo "yes" >&6; } + SET_MAKE= +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } + SET_MAKE="MAKE=${MAKE-make}" +fi + +rm -rf .tst 2>/dev/null +mkdir .tst 2>/dev/null +if test -d .tst; then + am__leading_dot=. +else + am__leading_dot=_ +fi +rmdir .tst 2>/dev/null + +# Check whether --enable-silent-rules was given. +if test "${enable_silent_rules+set}" = set; then : + enableval=$enable_silent_rules; +fi + +case $enable_silent_rules in # ((( + yes) AM_DEFAULT_VERBOSITY=0;; + no) AM_DEFAULT_VERBOSITY=1;; + *) AM_DEFAULT_VERBOSITY=1;; +esac +am_make=${MAKE-make} +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $am_make supports nested variables" >&5 +$as_echo_n "checking whether $am_make supports nested variables... " >&6; } +if ${am_cv_make_support_nested_variables+:} false; then : + $as_echo_n "(cached) " >&6 +else + if $as_echo 'TRUE=$(BAR$(V)) +BAR0=false +BAR1=true +V=1 +am__doit: + @$(TRUE) +.PHONY: am__doit' | $am_make -f - >/dev/null 2>&1; then + am_cv_make_support_nested_variables=yes +else + am_cv_make_support_nested_variables=no +fi +fi +{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $am_cv_make_support_nested_variables" >&5 +$as_echo "$am_cv_make_support_nested_variables" >&6; } +if test $am_cv_make_support_nested_variables = yes; then + AM_V='$(V)' + AM_DEFAULT_V='$(AM_DEFAULT_VERBOSITY)' +else + AM_V=$AM_DEFAULT_VERBOSITY + AM_DEFAULT_V=$AM_DEFAULT_VERBOSITY +fi +AM_BACKSLASH='\' + +if test "`cd $srcdir && pwd`" != "`pwd`"; then + # Use -I$(srcdir) only when $(srcdir) != ., so that make's output + # is not polluted with repeated "-I." + am__isrc=' -I$(srcdir)' + # test to see if srcdir already configured + if test -f $srcdir/config.status; then + as_fn_error $? "source directory already configured; run \"make distclean\" there first" "$LINENO" 5 + fi +fi + +# test whether we have cygpath +if test -z "$CYGPATH_W"; then + if (cygpath --version) >/dev/null 2>/dev/null; then + CYGPATH_W='cygpath -w' + else + CYGPATH_W=echo + fi +fi + + +# Define the identity of the package. + PACKAGE='generateTMDSuperCell' + VERSION='0.4.0-devel' + + +cat >>confdefs.h <<_ACEOF +#define PACKAGE "$PACKAGE" +_ACEOF + + +cat >>confdefs.h <<_ACEOF +#define VERSION "$VERSION" +_ACEOF + +# Some tools Automake needs. + +ACLOCAL=${ACLOCAL-"${am_missing_run}aclocal-${am__api_version}"} + + +AUTOCONF=${AUTOCONF-"${am_missing_run}autoconf"} + + +AUTOMAKE=${AUTOMAKE-"${am_missing_run}automake-${am__api_version}"} + + +AUTOHEADER=${AUTOHEADER-"${am_missing_run}autoheader"} + + +MAKEINFO=${MAKEINFO-"${am_missing_run}makeinfo"} + +# For better backward compatibility. To be removed once Automake 1.9.x +# dies out for good. For more background, see: +# +# +mkdir_p='$(MKDIR_P)' + +# We need awk for the "check" target (and possibly the TAP driver). The +# system "awk" is bad on some platforms. +# Always define AMTAR for backward compatibility. Yes, it's still used +# in the wild :-( We should find a proper way to deprecate it ... +AMTAR='$${TAR-tar}' + + +# We'll loop over all known methods to create a tar archive until one works. +_am_tools='gnutar pax cpio none' + +am__tar='$${TAR-tar} chof - "$$tardir"' am__untar='$${TAR-tar} xf -' + + + + + + +# POSIX will say in a future version that running "rm -f" with no argument +# is OK; and we want to be able to make that assumption in our Makefile +# recipes. So use an aggressive probe to check that the usage we want is +# actually supported "in the wild" to an acceptable degree. +# See automake bug#10828. +# To make any issue more visible, cause the running configure to be aborted +# by default if the 'rm' program in use doesn't match our expectations; the +# user can still override this though. +if rm -f && rm -fr && rm -rf; then : OK; else + cat >&2 <<'END' +Oops! + +Your 'rm' program seems unable to run without file operands specified +on the command line, even when the '-f' option is present. This is contrary +to the behaviour of most rm programs out there, and not conforming with +the upcoming POSIX standard: + +Please tell bug-automake@gnu.org about your system, including the value +of your $PATH and any error possibly output before this message. This +can help us improve future automake versions. + +END + if test x"$ACCEPT_INFERIOR_RM_PROGRAM" = x"yes"; then + echo 'Configuration will proceed anyway, since you have set the' >&2 + echo 'ACCEPT_INFERIOR_RM_PROGRAM variable to "yes"' >&2 + echo >&2 + else + cat >&2 <<'END' +Aborting the configuration process, to ensure you take notice of the issue. + +You can download and install GNU coreutils to get an 'rm' implementation +that behaves properly: . + +If you want to complete the configuration process using your problematic +'rm' anyway, export the environment variable ACCEPT_INFERIOR_RM_PROGRAM +to "yes", and re-run configure. + +END + as_fn_error $? "Your 'rm' program is bad, sorry." "$LINENO" 5 + fi +fi + +ac_ext=c +ac_cpp='$CPP $CPPFLAGS' +ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5' +ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5' +ac_compiler_gnu=$ac_cv_c_compiler_gnu +if test -n "$ac_tool_prefix"; then + # Extract the first word of "${ac_tool_prefix}gcc", so it can be a program name with args. +set dummy ${ac_tool_prefix}gcc; ac_word=$2 +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 +$as_echo_n "checking for $ac_word... " >&6; } +if ${ac_cv_prog_CC+:} false; then : + $as_echo_n "(cached) " >&6 +else + if test -n "$CC"; then + ac_cv_prog_CC="$CC" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_CC="${ac_tool_prefix}gcc" + $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done + done +IFS=$as_save_IFS + +fi +fi +CC=$ac_cv_prog_CC +if test -n "$CC"; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: $CC" >&5 +$as_echo "$CC" >&6; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +fi + + +fi +if test -z "$ac_cv_prog_CC"; then + ac_ct_CC=$CC + # Extract the first word of "gcc", so it can be a program name with args. +set dummy gcc; ac_word=$2 +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 +$as_echo_n "checking for $ac_word... " >&6; } +if ${ac_cv_prog_ac_ct_CC+:} false; then : + $as_echo_n "(cached) " >&6 +else + if test -n "$ac_ct_CC"; then + ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_ac_ct_CC="gcc" + $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done + done +IFS=$as_save_IFS + +fi +fi +ac_ct_CC=$ac_cv_prog_ac_ct_CC +if test -n "$ac_ct_CC"; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_CC" >&5 +$as_echo "$ac_ct_CC" >&6; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +fi + + if test "x$ac_ct_CC" = x; then + CC="" + else + case $cross_compiling:$ac_tool_warned in +yes:) +{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 +$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} +ac_tool_warned=yes ;; +esac + CC=$ac_ct_CC + fi +else + CC="$ac_cv_prog_CC" +fi + +if test -z "$CC"; then + if test -n "$ac_tool_prefix"; then + # Extract the first word of "${ac_tool_prefix}cc", so it can be a program name with args. +set dummy ${ac_tool_prefix}cc; ac_word=$2 +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 +$as_echo_n "checking for $ac_word... " >&6; } +if ${ac_cv_prog_CC+:} false; then : + $as_echo_n "(cached) " >&6 +else + if test -n "$CC"; then + ac_cv_prog_CC="$CC" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_CC="${ac_tool_prefix}cc" + $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done + done +IFS=$as_save_IFS + +fi +fi +CC=$ac_cv_prog_CC +if test -n "$CC"; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: $CC" >&5 +$as_echo "$CC" >&6; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +fi + + + fi +fi +if test -z "$CC"; then + # Extract the first word of "cc", so it can be a program name with args. +set dummy cc; ac_word=$2 +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 +$as_echo_n "checking for $ac_word... " >&6; } +if ${ac_cv_prog_CC+:} false; then : + $as_echo_n "(cached) " >&6 +else + if test -n "$CC"; then + ac_cv_prog_CC="$CC" # Let the user override the test. +else + ac_prog_rejected=no +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + if test "$as_dir/$ac_word$ac_exec_ext" = "/usr/ucb/cc"; then + ac_prog_rejected=yes + continue + fi + ac_cv_prog_CC="cc" + $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done + done +IFS=$as_save_IFS + +if test $ac_prog_rejected = yes; then + # We found a bogon in the path, so make sure we never use it. + set dummy $ac_cv_prog_CC + shift + if test $# != 0; then + # We chose a different compiler from the bogus one. + # However, it has the same basename, so the bogon will be chosen + # first if we set CC to just the basename; use the full file name. + shift + ac_cv_prog_CC="$as_dir/$ac_word${1+' '}$@" + fi +fi +fi +fi +CC=$ac_cv_prog_CC +if test -n "$CC"; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: $CC" >&5 +$as_echo "$CC" >&6; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +fi + + +fi +if test -z "$CC"; then + if test -n "$ac_tool_prefix"; then + for ac_prog in cl.exe + do + # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args. +set dummy $ac_tool_prefix$ac_prog; ac_word=$2 +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 +$as_echo_n "checking for $ac_word... " >&6; } +if ${ac_cv_prog_CC+:} false; then : + $as_echo_n "(cached) " >&6 +else + if test -n "$CC"; then + ac_cv_prog_CC="$CC" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_CC="$ac_tool_prefix$ac_prog" + $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done + done +IFS=$as_save_IFS + +fi +fi +CC=$ac_cv_prog_CC +if test -n "$CC"; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: $CC" >&5 +$as_echo "$CC" >&6; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +fi + + + test -n "$CC" && break + done +fi +if test -z "$CC"; then + ac_ct_CC=$CC + for ac_prog in cl.exe +do + # Extract the first word of "$ac_prog", so it can be a program name with args. +set dummy $ac_prog; ac_word=$2 +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for $ac_word" >&5 +$as_echo_n "checking for $ac_word... " >&6; } +if ${ac_cv_prog_ac_ct_CC+:} false; then : + $as_echo_n "(cached) " >&6 +else + if test -n "$ac_ct_CC"; then + ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test. +else +as_save_IFS=$IFS; IFS=$PATH_SEPARATOR +for as_dir in $PATH +do + IFS=$as_save_IFS + test -z "$as_dir" && as_dir=. + for ac_exec_ext in '' $ac_executable_extensions; do + if as_fn_executable_p "$as_dir/$ac_word$ac_exec_ext"; then + ac_cv_prog_ac_ct_CC="$ac_prog" + $as_echo "$as_me:${as_lineno-$LINENO}: found $as_dir/$ac_word$ac_exec_ext" >&5 + break 2 + fi +done + done +IFS=$as_save_IFS + +fi +fi +ac_ct_CC=$ac_cv_prog_ac_ct_CC +if test -n "$ac_ct_CC"; then + { $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_ct_CC" >&5 +$as_echo "$ac_ct_CC" >&6; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +fi + + + test -n "$ac_ct_CC" && break +done + + if test "x$ac_ct_CC" = x; then + CC="" + else + case $cross_compiling:$ac_tool_warned in +yes:) +{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: using cross tools not prefixed with host triplet" >&5 +$as_echo "$as_me: WARNING: using cross tools not prefixed with host triplet" >&2;} +ac_tool_warned=yes ;; +esac + CC=$ac_ct_CC + fi +fi + +fi + + +test -z "$CC" && { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 +$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} +as_fn_error $? "no acceptable C compiler found in \$PATH +See \`config.log' for more details" "$LINENO" 5; } + +# Provide some information about the compiler. +$as_echo "$as_me:${as_lineno-$LINENO}: checking for C compiler version" >&5 +set X $ac_compile +ac_compiler=$2 +for ac_option in --version -v -V -qversion; do + { { ac_try="$ac_compiler $ac_option >&5" +case "(($ac_try" in + *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; + *) ac_try_echo=$ac_try;; +esac +eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" +$as_echo "$ac_try_echo"; } >&5 + (eval "$ac_compiler $ac_option >&5") 2>conftest.err + ac_status=$? + if test -s conftest.err; then + sed '10a\ +... rest of stderr output deleted ... + 10q' conftest.err >conftest.er1 + cat conftest.er1 >&5 + fi + rm -f conftest.er1 conftest.err + $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 + test $ac_status = 0; } +done + +cat confdefs.h - <<_ACEOF >conftest.$ac_ext +/* end confdefs.h. */ + +int +main () +{ + + ; + return 0; +} +_ACEOF +ac_clean_files_save=$ac_clean_files +ac_clean_files="$ac_clean_files a.out a.out.dSYM a.exe b.out" +# Try to create an executable without -o first, disregard a.out. +# It will help us diagnose broken compilers, and finding out an intuition +# of exeext. +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether the C compiler works" >&5 +$as_echo_n "checking whether the C compiler works... " >&6; } +ac_link_default=`$as_echo "$ac_link" | sed 's/ -o *conftest[^ ]*//'` + +# The possible output files: +ac_files="a.out conftest.exe conftest a.exe a_out.exe b.out conftest.*" + +ac_rmfiles= +for ac_file in $ac_files +do + case $ac_file in + *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.map | *.inf | *.dSYM | *.o | *.obj ) ;; + * ) ac_rmfiles="$ac_rmfiles $ac_file";; + esac +done +rm -f $ac_rmfiles + +if { { ac_try="$ac_link_default" +case "(($ac_try" in + *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; + *) ac_try_echo=$ac_try;; +esac +eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" +$as_echo "$ac_try_echo"; } >&5 + (eval "$ac_link_default") 2>&5 + ac_status=$? + $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 + test $ac_status = 0; }; then : + # Autoconf-2.13 could set the ac_cv_exeext variable to `no'. +# So ignore a value of `no', otherwise this would lead to `EXEEXT = no' +# in a Makefile. We should not override ac_cv_exeext if it was cached, +# so that the user can short-circuit this test for compilers unknown to +# Autoconf. +for ac_file in $ac_files '' +do + test -f "$ac_file" || continue + case $ac_file in + *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.map | *.inf | *.dSYM | *.o | *.obj ) + ;; + [ab].out ) + # We found the default executable, but exeext='' is most + # certainly right. + break;; + *.* ) + if test "${ac_cv_exeext+set}" = set && test "$ac_cv_exeext" != no; + then :; else + ac_cv_exeext=`expr "$ac_file" : '[^.]*\(\..*\)'` + fi + # We set ac_cv_exeext here because the later test for it is not + # safe: cross compilers may not add the suffix if given an `-o' + # argument, so we may need to know it at that point already. + # Even if this section looks crufty: it has the advantage of + # actually working. + break;; + * ) + break;; + esac +done +test "$ac_cv_exeext" = no && ac_cv_exeext= + +else + ac_file='' +fi +if test -z "$ac_file"; then : + { $as_echo "$as_me:${as_lineno-$LINENO}: result: no" >&5 +$as_echo "no" >&6; } +$as_echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +{ { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 +$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} +as_fn_error 77 "C compiler cannot create executables +See \`config.log' for more details" "$LINENO" 5; } +else + { $as_echo "$as_me:${as_lineno-$LINENO}: result: yes" >&5 +$as_echo "yes" >&6; } +fi +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for C compiler default output file name" >&5 +$as_echo_n "checking for C compiler default output file name... " >&6; } +{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_file" >&5 +$as_echo "$ac_file" >&6; } +ac_exeext=$ac_cv_exeext + +rm -f -r a.out a.out.dSYM a.exe conftest$ac_cv_exeext b.out +ac_clean_files=$ac_clean_files_save +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for suffix of executables" >&5 +$as_echo_n "checking for suffix of executables... " >&6; } +if { { ac_try="$ac_link" +case "(($ac_try" in + *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; + *) ac_try_echo=$ac_try;; +esac +eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" +$as_echo "$ac_try_echo"; } >&5 + (eval "$ac_link") 2>&5 + ac_status=$? + $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 + test $ac_status = 0; }; then : + # If both `conftest.exe' and `conftest' are `present' (well, observable) +# catch `conftest.exe'. For instance with Cygwin, `ls conftest' will +# work properly (i.e., refer to `conftest.exe'), while it won't with +# `rm'. +for ac_file in conftest.exe conftest conftest.*; do + test -f "$ac_file" || continue + case $ac_file in + *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.map | *.inf | *.dSYM | *.o | *.obj ) ;; + *.* ) ac_cv_exeext=`expr "$ac_file" : '[^.]*\(\..*\)'` + break;; + * ) break;; + esac +done +else + { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 +$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} +as_fn_error $? "cannot compute suffix of executables: cannot compile and link +See \`config.log' for more details" "$LINENO" 5; } +fi +rm -f conftest conftest$ac_cv_exeext +{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_exeext" >&5 +$as_echo "$ac_cv_exeext" >&6; } + +rm -f conftest.$ac_ext +EXEEXT=$ac_cv_exeext +ac_exeext=$EXEEXT +cat confdefs.h - <<_ACEOF >conftest.$ac_ext +/* end confdefs.h. */ +#include +int +main () +{ +FILE *f = fopen ("conftest.out", "w"); + return ferror (f) || fclose (f) != 0; + + ; + return 0; +} +_ACEOF +ac_clean_files="$ac_clean_files conftest.out" +# Check that the compiler produces executables we can run. If not, either +# the compiler is broken, or we cross compile. +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are cross compiling" >&5 +$as_echo_n "checking whether we are cross compiling... " >&6; } +if test "$cross_compiling" != yes; then + { { ac_try="$ac_link" +case "(($ac_try" in + *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; + *) ac_try_echo=$ac_try;; +esac +eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" +$as_echo "$ac_try_echo"; } >&5 + (eval "$ac_link") 2>&5 + ac_status=$? + $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 + test $ac_status = 0; } + if { ac_try='./conftest$ac_cv_exeext' + { { case "(($ac_try" in + *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; + *) ac_try_echo=$ac_try;; +esac +eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" +$as_echo "$ac_try_echo"; } >&5 + (eval "$ac_try") 2>&5 + ac_status=$? + $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 + test $ac_status = 0; }; }; then + cross_compiling=no + else + if test "$cross_compiling" = maybe; then + cross_compiling=yes + else + { { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 +$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} +as_fn_error $? "cannot run C compiled programs. +If you meant to cross compile, use \`--host'. +See \`config.log' for more details" "$LINENO" 5; } + fi + fi +fi +{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $cross_compiling" >&5 +$as_echo "$cross_compiling" >&6; } + +rm -f conftest.$ac_ext conftest$ac_cv_exeext conftest.out +ac_clean_files=$ac_clean_files_save +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for suffix of object files" >&5 +$as_echo_n "checking for suffix of object files... " >&6; } +if ${ac_cv_objext+:} false; then : + $as_echo_n "(cached) " >&6 +else + cat confdefs.h - <<_ACEOF >conftest.$ac_ext +/* end confdefs.h. */ + +int +main () +{ + + ; + return 0; +} +_ACEOF +rm -f conftest.o conftest.obj +if { { ac_try="$ac_compile" +case "(($ac_try" in + *\"* | *\`* | *\\*) ac_try_echo=\$ac_try;; + *) ac_try_echo=$ac_try;; +esac +eval ac_try_echo="\"\$as_me:${as_lineno-$LINENO}: $ac_try_echo\"" +$as_echo "$ac_try_echo"; } >&5 + (eval "$ac_compile") 2>&5 + ac_status=$? + $as_echo "$as_me:${as_lineno-$LINENO}: \$? = $ac_status" >&5 + test $ac_status = 0; }; then : + for ac_file in conftest.o conftest.obj conftest.*; do + test -f "$ac_file" || continue; + case $ac_file in + *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.map | *.inf | *.dSYM ) ;; + *) ac_cv_objext=`expr "$ac_file" : '.*\.\(.*\)'` + break;; + esac +done +else + $as_echo "$as_me: failed program was:" >&5 +sed 's/^/| /' conftest.$ac_ext >&5 + +{ { $as_echo "$as_me:${as_lineno-$LINENO}: error: in \`$ac_pwd':" >&5 +$as_echo "$as_me: error: in \`$ac_pwd':" >&2;} +as_fn_error $? "cannot compute suffix of object files: cannot compile +See \`config.log' for more details" "$LINENO" 5; } +fi +rm -f conftest.$ac_cv_objext conftest.$ac_ext +fi +{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_objext" >&5 +$as_echo "$ac_cv_objext" >&6; } +OBJEXT=$ac_cv_objext +ac_objext=$OBJEXT +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether we are using the GNU C compiler" >&5 +$as_echo_n "checking whether we are using the GNU C compiler... " >&6; } +if ${ac_cv_c_compiler_gnu+:} false; then : + $as_echo_n "(cached) " >&6 +else + cat confdefs.h - <<_ACEOF >conftest.$ac_ext +/* end confdefs.h. */ + +int +main () +{ +#ifndef __GNUC__ + choke me +#endif + + ; + return 0; +} +_ACEOF +if ac_fn_c_try_compile "$LINENO"; then : + ac_compiler_gnu=yes +else + ac_compiler_gnu=no +fi +rm -f core conftest.err conftest.$ac_objext conftest.$ac_ext +ac_cv_c_compiler_gnu=$ac_compiler_gnu + +fi +{ $as_echo "$as_me:${as_lineno-$LINENO}: result: $ac_cv_c_compiler_gnu" >&5 +$as_echo "$ac_cv_c_compiler_gnu" >&6; } +if test $ac_compiler_gnu = yes; then + GCC=yes +else + GCC= +fi +ac_test_CFLAGS=${CFLAGS+set} +ac_save_CFLAGS=$CFLAGS +{ $as_echo "$as_me:${as_lineno-$LINENO}: checking whether $CC accepts -g" >&5 +$as_echo_n "checking whether $CC accepts -g... 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But do not cause bugs in bash 2.01; the "|| exit 1" +# suppresses any "Segmentation fault" message there. '((' could +# trigger a bug in pdksh 5.2.14. +for as_var in BASH_ENV ENV MAIL MAILPATH +do eval test x\${$as_var+set} = xset \ + && ( (unset $as_var) || exit 1) >/dev/null 2>&1 && unset $as_var || : +done +PS1='$ ' +PS2='> ' +PS4='+ ' + +# NLS nuisances. +LC_ALL=C +export LC_ALL +LANGUAGE=C +export LANGUAGE + +# CDPATH. +(unset CDPATH) >/dev/null 2>&1 && unset CDPATH + + +# as_fn_error STATUS ERROR [LINENO LOG_FD] +# ---------------------------------------- +# Output "`basename $0`: error: ERROR" to stderr. If LINENO and LOG_FD are +# provided, also output the error to LOG_FD, referencing LINENO. Then exit the +# script with STATUS, using 1 if that was 0. +as_fn_error () +{ + as_status=$1; test $as_status -eq 0 && as_status=1 + if test "$4"; then + as_lineno=${as_lineno-"$3"} as_lineno_stack=as_lineno_stack=$as_lineno_stack + $as_echo "$as_me:${as_lineno-$LINENO}: error: $2" >&$4 + fi + $as_echo "$as_me: error: $2" >&2 + as_fn_exit $as_status +} # as_fn_error + + +# as_fn_set_status STATUS +# ----------------------- +# Set $? to STATUS, without forking. +as_fn_set_status () +{ + return $1 +} # as_fn_set_status + +# as_fn_exit STATUS +# ----------------- +# Exit the shell with STATUS, even in a "trap 0" or "set -e" context. +as_fn_exit () +{ + set +e + as_fn_set_status $1 + exit $1 +} # as_fn_exit + +# as_fn_unset VAR +# --------------- +# Portably unset VAR. +as_fn_unset () +{ + { eval $1=; unset $1;} +} +as_unset=as_fn_unset +# as_fn_append VAR VALUE +# ---------------------- +# Append the text in VALUE to the end of the definition contained in VAR. Take +# advantage of any shell optimizations that allow amortized linear growth over +# repeated appends, instead of the typical quadratic growth present in naive +# implementations. +if (eval "as_var=1; as_var+=2; test x\$as_var = x12") 2>/dev/null; then : + eval 'as_fn_append () + { + eval $1+=\$2 + }' +else + as_fn_append () + { + eval $1=\$$1\$2 + } +fi # as_fn_append + +# as_fn_arith ARG... +# ------------------ +# Perform arithmetic evaluation on the ARGs, and store the result in the +# global $as_val. Take advantage of shells that can avoid forks. The arguments +# must be portable across $(()) and expr. +if (eval "test \$(( 1 + 1 )) = 2") 2>/dev/null; then : + eval 'as_fn_arith () + { + as_val=$(( $* )) + }' +else + as_fn_arith () + { + as_val=`expr "$@" || test $? -eq 1` + } +fi # as_fn_arith + + +if expr a : '\(a\)' >/dev/null 2>&1 && + test "X`expr 00001 : '.*\(...\)'`" = X001; then + as_expr=expr +else + as_expr=false +fi + +if (basename -- /) >/dev/null 2>&1 && test "X`basename -- / 2>&1`" = "X/"; then + as_basename=basename +else + as_basename=false +fi + +if (as_dir=`dirname -- /` && test "X$as_dir" = X/) >/dev/null 2>&1; then + as_dirname=dirname +else + as_dirname=false +fi + +as_me=`$as_basename -- "$0" || +$as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \ + X"$0" : 'X\(//\)$' \| \ + X"$0" : 'X\(/\)' \| . 2>/dev/null || +$as_echo X/"$0" | + sed '/^.*\/\([^/][^/]*\)\/*$/{ + s//\1/ + q + } + /^X\/\(\/\/\)$/{ + s//\1/ + q + } + /^X\/\(\/\).*/{ + s//\1/ + q + } + s/.*/./; q'` + +# Avoid depending upon Character Ranges. +as_cr_letters='abcdefghijklmnopqrstuvwxyz' +as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ' +as_cr_Letters=$as_cr_letters$as_cr_LETTERS +as_cr_digits='0123456789' +as_cr_alnum=$as_cr_Letters$as_cr_digits + +ECHO_C= ECHO_N= ECHO_T= +case `echo -n x` in #((((( +-n*) + case `echo 'xy\c'` in + *c*) ECHO_T=' ';; # ECHO_T is single tab character. + xy) ECHO_C='\c';; + *) echo `echo ksh88 bug on AIX 6.1` > /dev/null + ECHO_T=' ';; + esac;; +*) + ECHO_N='-n';; +esac + +rm -f conf$$ conf$$.exe conf$$.file +if test -d conf$$.dir; then + rm -f conf$$.dir/conf$$.file +else + rm -f conf$$.dir + mkdir conf$$.dir 2>/dev/null +fi +if (echo >conf$$.file) 2>/dev/null; then + if ln -s conf$$.file conf$$ 2>/dev/null; then + as_ln_s='ln -s' + # ... but there are two gotchas: + # 1) On MSYS, both `ln -s file dir' and `ln file dir' fail. + # 2) DJGPP < 2.04 has no symlinks; `ln -s' creates a wrapper executable. + # In both cases, we have to default to `cp -pR'. + ln -s conf$$.file conf$$.dir 2>/dev/null && test ! -f conf$$.exe || + as_ln_s='cp -pR' + elif ln conf$$.file conf$$ 2>/dev/null; then + as_ln_s=ln + else + as_ln_s='cp -pR' + fi +else + as_ln_s='cp -pR' +fi +rm -f conf$$ conf$$.exe conf$$.dir/conf$$.file conf$$.file +rmdir conf$$.dir 2>/dev/null + + +# as_fn_mkdir_p +# ------------- +# Create "$as_dir" as a directory, including parents if necessary. +as_fn_mkdir_p () +{ + + case $as_dir in #( + -*) as_dir=./$as_dir;; + esac + test -d "$as_dir" || eval $as_mkdir_p || { + as_dirs= + while :; do + case $as_dir in #( + *\'*) as_qdir=`$as_echo "$as_dir" | sed "s/'/'\\\\\\\\''/g"`;; #'( + *) as_qdir=$as_dir;; + esac + as_dirs="'$as_qdir' $as_dirs" + as_dir=`$as_dirname -- "$as_dir" || +$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \ + X"$as_dir" : 'X\(//\)[^/]' \| \ + X"$as_dir" : 'X\(//\)$' \| \ + X"$as_dir" : 'X\(/\)' \| . 2>/dev/null || +$as_echo X"$as_dir" | + sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ + s//\1/ + q + } + /^X\(\/\/\)[^/].*/{ + s//\1/ + q + } + /^X\(\/\/\)$/{ + s//\1/ + q + } + /^X\(\/\).*/{ + s//\1/ + q + } + s/.*/./; q'` + test -d "$as_dir" && break + done + test -z "$as_dirs" || eval "mkdir $as_dirs" + } || test -d "$as_dir" || as_fn_error $? "cannot create directory $as_dir" + + +} # as_fn_mkdir_p +if mkdir -p . 2>/dev/null; then + as_mkdir_p='mkdir -p "$as_dir"' +else + test -d ./-p && rmdir ./-p + as_mkdir_p=false +fi + + +# as_fn_executable_p FILE +# ----------------------- +# Test if FILE is an executable regular file. +as_fn_executable_p () +{ + test -f "$1" && test -x "$1" +} # as_fn_executable_p +as_test_x='test -x' +as_executable_p=as_fn_executable_p + +# Sed expression to map a string onto a valid CPP name. +as_tr_cpp="eval sed 'y%*$as_cr_letters%P$as_cr_LETTERS%;s%[^_$as_cr_alnum]%_%g'" + +# Sed expression to map a string onto a valid variable name. +as_tr_sh="eval sed 'y%*+%pp%;s%[^_$as_cr_alnum]%_%g'" + + +exec 6>&1 +## ----------------------------------- ## +## Main body of $CONFIG_STATUS script. ## +## ----------------------------------- ## +_ASEOF +test $as_write_fail = 0 && chmod +x $CONFIG_STATUS || ac_write_fail=1 + +cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 +# Save the log message, to keep $0 and so on meaningful, and to +# report actual input values of CONFIG_FILES etc. instead of their +# values after options handling. +ac_log=" +This file was extended by TMD CDW Unit Cell Generator $as_me 0.4.0-devel, which was +generated by GNU Autoconf 2.69. Invocation command line was + + CONFIG_FILES = $CONFIG_FILES + CONFIG_HEADERS = $CONFIG_HEADERS + CONFIG_LINKS = $CONFIG_LINKS + CONFIG_COMMANDS = $CONFIG_COMMANDS + $ $0 $@ + +on `(hostname || uname -n) 2>/dev/null | sed 1q` +" + +_ACEOF + +case $ac_config_files in *" +"*) set x $ac_config_files; shift; ac_config_files=$*;; +esac + + + +cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 +# Files that config.status was made for. +config_files="$ac_config_files" +config_commands="$ac_config_commands" + +_ACEOF + +cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 +ac_cs_usage="\ +\`$as_me' instantiates files and other configuration actions +from templates according to the current configuration. Unless the files +and actions are specified as TAGs, all are instantiated by default. + +Usage: $0 [OPTION]... [TAG]... + + -h, --help print this help, then exit + -V, --version print version number and configuration settings, then exit + --config print configuration, then exit + -q, --quiet, --silent + do not print progress messages + -d, --debug don't remove temporary files + --recheck update $as_me by reconfiguring in the same conditions + --file=FILE[:TEMPLATE] + instantiate the configuration file FILE + +Configuration files: +$config_files + +Configuration commands: +$config_commands + +Report bugs to >." + +_ACEOF +cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 +ac_cs_config="`$as_echo "$ac_configure_args" | sed 's/^ //; s/[\\""\`\$]/\\\\&/g'`" +ac_cs_version="\\ +TMD CDW Unit Cell Generator config.status 0.4.0-devel +configured by $0, generated by GNU Autoconf 2.69, + with options \\"\$ac_cs_config\\" + +Copyright (C) 2012 Free Software Foundation, Inc. +This config.status script is free software; the Free Software Foundation +gives unlimited permission to copy, distribute and modify it." + +ac_pwd='$ac_pwd' +srcdir='$srcdir' +INSTALL='$INSTALL' +MKDIR_P='$MKDIR_P' +AWK='$AWK' +test -n "\$AWK" || AWK=awk +_ACEOF + +cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 +# The default lists apply if the user does not specify any file. +ac_need_defaults=: +while test $# != 0 +do + case $1 in + --*=?*) + ac_option=`expr "X$1" : 'X\([^=]*\)='` + ac_optarg=`expr "X$1" : 'X[^=]*=\(.*\)'` + ac_shift=: + ;; + --*=) + ac_option=`expr "X$1" : 'X\([^=]*\)='` + ac_optarg= + ac_shift=: + ;; + *) + ac_option=$1 + ac_optarg=$2 + ac_shift=shift + ;; + esac + + case $ac_option in + # Handling of the options. + -recheck | --recheck | --rechec | --reche | --rech | --rec | --re | --r) + ac_cs_recheck=: ;; + --version | --versio | --versi | --vers | --ver | --ve | --v | -V ) + $as_echo "$ac_cs_version"; exit ;; + --config | --confi | --conf | --con | --co | --c ) + $as_echo "$ac_cs_config"; exit ;; + --debug | --debu | --deb | --de | --d | -d ) + debug=: ;; + --file | --fil | --fi | --f ) + $ac_shift + case $ac_optarg in + *\'*) ac_optarg=`$as_echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"` ;; + '') as_fn_error $? "missing file argument" ;; + esac + as_fn_append CONFIG_FILES " '$ac_optarg'" + ac_need_defaults=false;; + --he | --h | --help | --hel | -h ) + $as_echo "$ac_cs_usage"; exit ;; + -q | -quiet | --quiet | --quie | --qui | --qu | --q \ + | -silent | --silent | --silen | --sile | --sil | --si | --s) + ac_cs_silent=: ;; + + # This is an error. + -*) as_fn_error $? "unrecognized option: \`$1' +Try \`$0 --help' for more information." ;; + + *) as_fn_append ac_config_targets " $1" + ac_need_defaults=false ;; + + esac + shift +done + +ac_configure_extra_args= + +if $ac_cs_silent; then + exec 6>/dev/null + ac_configure_extra_args="$ac_configure_extra_args --silent" +fi + +_ACEOF +cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 +if \$ac_cs_recheck; then + set X $SHELL '$0' $ac_configure_args \$ac_configure_extra_args --no-create --no-recursion + shift + \$as_echo "running CONFIG_SHELL=$SHELL \$*" >&6 + CONFIG_SHELL='$SHELL' + export CONFIG_SHELL + exec "\$@" +fi + +_ACEOF +cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 +exec 5>>config.log +{ + echo + sed 'h;s/./-/g;s/^.../## /;s/...$/ ##/;p;x;p;x' <<_ASBOX +## Running $as_me. ## +_ASBOX + $as_echo "$ac_log" +} >&5 + +_ACEOF +cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1 +# +# INIT-COMMANDS +# +AMDEP_TRUE="$AMDEP_TRUE" ac_aux_dir="$ac_aux_dir" + +_ACEOF + +cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 + +# Handling of arguments. +for ac_config_target in $ac_config_targets +do + case $ac_config_target in + "depfiles") CONFIG_COMMANDS="$CONFIG_COMMANDS depfiles" ;; + "Makefile") CONFIG_FILES="$CONFIG_FILES Makefile" ;; + + *) as_fn_error $? "invalid argument: \`$ac_config_target'" "$LINENO" 5;; + esac +done + + +# If the user did not use the arguments to specify the items to instantiate, +# then the envvar interface is used. Set only those that are not. +# We use the long form for the default assignment because of an extremely +# bizarre bug on SunOS 4.1.3. +if $ac_need_defaults; then + test "${CONFIG_FILES+set}" = set || CONFIG_FILES=$config_files + test "${CONFIG_COMMANDS+set}" = set || CONFIG_COMMANDS=$config_commands +fi + +# Have a temporary directory for convenience. Make it in the build tree +# simply because there is no reason against having it here, and in addition, +# creating and moving files from /tmp can sometimes cause problems. +# Hook for its removal unless debugging. +# Note that there is a small window in which the directory will not be cleaned: +# after its creation but before its name has been assigned to `$tmp'. +$debug || +{ + tmp= ac_tmp= + trap 'exit_status=$? + : "${ac_tmp:=$tmp}" + { test ! -d "$ac_tmp" || rm -fr "$ac_tmp"; } && exit $exit_status +' 0 + trap 'as_fn_exit 1' 1 2 13 15 +} +# Create a (secure) tmp directory for tmp files. + +{ + tmp=`(umask 077 && mktemp -d "./confXXXXXX") 2>/dev/null` && + test -d "$tmp" +} || +{ + tmp=./conf$$-$RANDOM + (umask 077 && mkdir "$tmp") +} || as_fn_error $? "cannot create a temporary directory in ." 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"could not setup config files machinery" "$LINENO" 5 +_ACEOF + +# VPATH may cause trouble with some makes, so we remove sole $(srcdir), +# ${srcdir} and @srcdir@ entries from VPATH if srcdir is ".", strip leading and +# trailing colons and then remove the whole line if VPATH becomes empty +# (actually we leave an empty line to preserve line numbers). +if test "x$srcdir" = x.; then + ac_vpsub='/^[ ]*VPATH[ ]*=[ ]*/{ +h +s/// +s/^/:/ +s/[ ]*$/:/ +s/:\$(srcdir):/:/g +s/:\${srcdir}:/:/g +s/:@srcdir@:/:/g +s/^:*// +s/:*$// +x +s/\(=[ ]*\).*/\1/ +G +s/\n// +s/^[^=]*=[ ]*$// +}' +fi + +cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1 +fi # test -n "$CONFIG_FILES" + + +eval set X " :F $CONFIG_FILES :C $CONFIG_COMMANDS" +shift +for ac_tag +do + case $ac_tag in + :[FHLC]) ac_mode=$ac_tag; continue;; + esac + case $ac_mode$ac_tag in + :[FHL]*:*);; + :L* | :C*:*) as_fn_error $? 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When coming back to configure, we -# need to make the FD available again. -if test "$no_create" != yes; then - ac_cs_success=: - ac_config_status_args= - test "$silent" = yes && - ac_config_status_args="$ac_config_status_args --quiet" - exec 5>/dev/null - $SHELL $CONFIG_STATUS $ac_config_status_args || ac_cs_success=false - exec 5>>config.log - # Use ||, not &&, to avoid exiting from the if with $? = 1, which - # would make configure fail if this is the last instruction. - $ac_cs_success || as_fn_exit 1 -fi -if test -n "$ac_unrecognized_opts" && test "$enable_option_checking" != no; then - { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unrecognized options: $ac_unrecognized_opts" >&5 -$as_echo "$as_me: WARNING: unrecognized options: $ac_unrecognized_opts" >&2;} -fi - diff --git a/install-sh b/install-sh deleted file mode 120000 index fd019ed..0000000 --- a/install-sh +++ /dev/null @@ -1 +0,0 @@ -/usr/share/automake-1.15/install-sh \ No newline at end of file diff --git a/makefile.include.old b/makefile.include.old deleted file mode 100644 index 2192ac5..0000000 --- a/makefile.include.old +++ /dev/null @@ -1,105 +0,0 @@ -#!/usr/bin/make - -# Copyright (C) 2016-2017 David C. Miller - -# This file is part of TMD CDW Unit Cell Generator - -# TMD CDW Unit Cell Generatort is free software: you can redistribute it -# and/or modify it under the terms of the GNU Lesser General Public -# License as published by the Free Software Foundation, either version -# 3 of the License, or (at your option) any later version. - -# TMD CDW Unit Cell Generator is distributed in the hope that it will be -# useful, but WITHOUT ANY WARRANTY; without even the implied warranty -# of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the -# GNU Lesser General Public License for more details. - -# You should have received a copy of the GNU Lesser General Public -# License along with TMD CDW Unit Cell Generator. If not, see -# . - -#makefile include file -#this file should be edited for an indivdiual system - -###################### -# Compilers # -###################### -#change these to match your system settings -CC=gcc -#CC=clang - -#general flags for all compilers -#debug flags are used by default -#use make final to use the final flags -FLAGS_BASE=-I$(IDIR) -I$(SDIR) -Wall -Wextra -pedantic\ - -Werror -Wno-error=unused-parameter -Wno-error=unused-variable\ - -Wno-error=pedantic -#-ansi -OFLAG_DEBUG=-O0 -g3 -pg $(WARN_FLAG) -#-fpack-struct=4 -OFLAG_FINAL=-O3 $(WARN_FLAG) -Wno-error=strict-overflow -WARN_FLAG=\ --Wfloat-equal\ --Wnarrowing\ --Wunused\ --Wunknown-pragmas\ --Wwrite-strings\ --Winit-self\ --Wcast-align\ --Wcast-qual\ --Wpointer-arith\ --Wstrict-aliasing\ --Wmissing-declarations\ --Wmissing-include-dirs\ --Wno-unused-parameter\ --Wuninitialized\ --Wcast-align\ --Wcast-qual\ --Wdisabled-optimization\ --Wformat=2\ --Wredundant-decls\ --Wshadow\ --Wstrict-overflow=4\ --Wswitch-default\ --Wundef\ --Wno-unused\ --Wsign-conversion\ --Wmissing-format-attribute\ --Wtype-limits\ --Wconversion\ --Wsign-compare\ --Wmissing-field-initializers\ --Wno-multichar\ --Winline\ -$(GCC_FLAGS) - -GCC_FLAGS=\ --Wsuggest-attribute=pure\ --Wsuggest-attribute=const\ --Wsuggest-attribute=noreturn\ --Wsuggest-attribute=format\ --Wmaybe-uninitialized\ --Wlogical-op\ - -#library include flags -LDFLAGS= -lm - -CFLAGS_BASE=-std=c99 -CFLAGS_DEBUG=$(CFLAGS_BASE) -CFLAGS_FINAL=$(CFLAGS_BASE) - -######################################################## -# The following is defined on a project specific basis # -######################################################## -#these definitions should NOT contain file suffix -_BIN = generateTMDSuperCell - -#all future definitions SHOULD include file suffix -#header files and object files -_DEPS = elements.h header.h - -#object (.o) files to be built -_COBJ = tmd_functions.o printing.o fractional.o atomic_sites.o structure.o testing.o - -#change to the local of desired installation (default is /usr/local/bin) -INSTALLDIR:=/mnt/home/mill2723/local/bin diff --git a/script-test-output.sh b/script-test-output.sh deleted file mode 100755 index edd0e62..0000000 --- a/script-test-output.sh +++ /dev/null @@ -1,9 +0,0 @@ -#!/bin/bash - -cd test-output -../bin/generateTMDSuperCell -t - -# check with diff if the test files generated are the same -# as the provided and verified files - -# need to make the verified files From 5cdc1b0c50172a3b6fed2d99f91aacc4c12e749e Mon Sep 17 00:00:00 2001 From: David Miller Date: Mon, 13 Feb 2017 18:52:25 -0500 Subject: [PATCH 6/8] Add lines to version printout + Added macros to printing.c + Added files to .gitignore + Updated bug reports in README.md + Updated configure.ac to not require README file --- .gitignore | 50 +++++++--------- README => README.md | 136 +++++++++++++++++++++--------------------- configure.ac | 12 ++-- src/printing.c | 141 ++++++++++++++++++++++++-------------------- 4 files changed, 177 insertions(+), 162 deletions(-) rename README => README.md (60%) diff --git a/.gitignore b/.gitignore index ec65abc..84c4200 100644 --- a/.gitignore +++ b/.gitignore @@ -1,33 +1,27 @@ +*~ +*.tar.gz + # Compiled Object files -*.slo -*.lo *.o -*.obj - -# Precompiled Headers -*.gch -*.pch - -# Compiled Dynamic libraries -*.so -*.dylib -*.dll - -# Fortran module files -*.mod -*.smod - -# Compiled Static libraries -*.lai -*.la *.a -*.lib - -# Executables -*.exe -*.out -*.app +# Binary related files +gmon.out bin/* -test-output/* -*~ + +# autoconf/automake files +.deps +.dirstamp +aclocal.m4 +autom4te.cache +config.log +config.status +compile +configure +depcomp +install-sh +INSTALL +Makefile +Makefile.in +missing + diff --git a/README b/README.md similarity index 60% rename from README rename to README.md index 0af354c..eb04261 100644 --- a/README +++ b/README.md @@ -12,29 +12,21 @@ Department of Physics and Astronomy Try the following: -+ change INSTALLDIR (typically a folder in PATH like /usr/local/bin) - - this is defined in makefile.include or can be passed through make ++ `./configure` ++ `make` + `make install` - - this will run `make reset`, `make all`, and then install the binary files in - the INSTALLDIR Other options: -+ `make dir` - - run this or manually make the necessary directories (./bin and ./obj) -+ `make final` - - final binary files will be in ./bin -+ `make link` - - will create symbolic links in INSTALLDIR for the binary files -+ `make all` - - will make binary files using the debug optimization options (for distributed - versions there is a chance that `make all` runs `make final` and `make debug` - runs this case) ++ `make debug` + - runs make with '-O0' optimization flag and '-pg -g3' debug flags ++ `make optim` + - runs make with '-O3' optimization flag + `make uninstall` - - removes binary files from INSTALLDIR (whether linked or copied) + - removes binary files from install directory You may need to run any of the above as root depending on local folder -privileges. +privileges. Additonally, see `./configure --help` for more options. ## Information @@ -54,32 +46,34 @@ Use of this program involves calling the binary and giving it all the arguments necessary for output. The order and style of inputs is given in the help for the program (just call the binary without any arguments). They are also given below: -All options below must be specified in the following order: - - 1. Lattice parameter a (in Angstroms) - 2. Lattice parameter c (in Angstroms) - 3. Super cell length a' - 4. Super cell length a'' - 5. Super cell length b' - 6. Super cell length b'' - 7. Layers (Bulk = 0, Monolayer = 1) - 8. 1T (T) or 2H (F) - 9. Randomize coordinates (T/F) - 10. Element M (use atomic number) - 11. Element X (use atomic number) - -The following options are optional and can be given after the options above: - - 12. Logical for Strain (T/F) - 13. Strain a axis (T/F) - 14. Strain b axis (T/F) - 15. Strain c axis (T/F) +All of the options in the first section below must be specified in the following +order: + + 1. Lattice parameter a (in Angstroms) + 2. Lattice parameter c (in Angstroms) + 3. Super cell length a' + 4. Super cell length a'' + 5. Super cell length b' + 6. Super cell length b'' + 7. Layers (Bulk = 0, Monolayer = 1) + 8. 1T (T) or 2H (F) + 9. Randomize coordinates (T/F) + 10. Element M (use atomic number) + 11. Element X (use atomic number) + +The following options are not required but allow generation of additional unit +cells with strain added along different axes: + + 12. Logical for Strain (T/F) + 13. Strain a axis (T/F) + 14. Strain b axis (T/F) + 15. Strain c axis (T/F) In addition to those options above, the following two options can be added after -to specify the amount of strain: - - 16. Minimum strain (%) - 17. Maximum strain (%) +to specify the amount of strain: + + 16. Minimum strain (%) + 17. Maximum strain (%) The a', a'', b', and b'' parameters are the two-vectors that specify the super-cell size. These describe how the super-cell is constructed in terms of @@ -104,7 +98,7 @@ fix or a patch. ### Compiling and Installing This program was designed to be compiled with the GNU C Compiler (gcc) and GNU -Make. It can also use the clang processor. It also uses some simple bash +Make. Additionally It can also use the clang processor. It also uses some simple bash commands. It *should* work on any Linux/UNIX system that can meet these requirements but I can offer no guarantees. I suspect (but have not tested) that this could be compiled on Cygwin or any other system with a C compiler if one so @@ -115,64 +109,72 @@ and ./inc). Currently I have used this on Ubuntu 16.04, and CentOS 6.6. -Dependencies: +Dependencies (with earliest tested version): -+ GNU gcc 4.4.7 **or** Clang 3.5.2 -+ GNU Make 3.81 (again, this is what I have run it with but I suspect it would -work with an earlier version) -+ GNU bash 4.1.2 (same as above) ++ GNU gcc 4.6.4 ++ GNU Make 4.1 ++ GNU bash 4.1.2 ++ GNU automake 1.15 ++ GNU autoconf 2.69 -Also, this does compile with the C90 ISO standards. This includes using the gcc -`-ansi` option. If you wish to compile without this dependency there should be +Also, this does compile with the C99 ISO standards. This includes using the gcc +`-std=c99` option. If you wish to compile without this dependency there should be no problems. This is mostly to ensure better portability. Additionally, one may -wish to remove the `WARN_FLAG` variable from the makefile or at least turnoff -`-Werror`. +wish to remove the `WARN_FLAG` variable from the makefile. Also, the code was written on an x64 system but there shouldn't be many dependencies if any. If you do compile and run this code on a widely different system (or perhaps just a very popular system) than what has been described please let me know so I can add it to this document. -To install: +It should be possible to compile this code with older version of gcc or with +Clang by removing certain warning flags. -(a) Modify the makefile.include file to match your desired settings. This may -include changing the compiler, flags, install directory, or programs to be -compiled. Again, I can make no guareentees about the operation of the program -without using the default settings on a system that it has been tested on. +To install: +(a) Run `./configure` with any additonal options (see `./configure --help` for +details). Use `--prefix=/path/to/install/root` to change the root directory for +the install. By default `make install` will install the binary file to +'/usr/local/bin'. (b) Run `make` - (c) Assuming everything went smoothly run `make install` (you may need to run -this as root or use sudo depending on the installation directory). I was also -verify that there is nothing in the install directory with an identical name to -one of the binaries being added. The makefile *will* overwrite it. +this as root or use sudo depending on the installation directory). - To uninstall simply run `make uninstall` -- The install script only makes a link from the binary directory to the bin/ - directory for the local compilation. Thus, if you recompile, there is no need - to re-install. If you would rather the binary files are copied, use `make - final` -Other: `make clean` will delete any extraneous files and `make reset` will -delete all built files including the binary files. +Other: `make mostlyclean` will delete any extraneous files while `make clean` +will remove all files generated by `make` ### Git repository This code is available at: [repository](https://github.com/david-c-miller/cdw-unit-cell-generator) -For update to date releases see: +For releases see: [releases](https://github.com/david-c-miller/cdw-unit-cell-generator/releases) For other information go to: [cdw-unit-cell-generator](https://david-c-miller.github.io/cdw-unit-cell-generator/) +### Bug Reports + +Please reports all bugs in the GitHub +[Issues](https://github.com/david-c-miller/cdw-unit-cell-generator/issues) +section. This way others can view the bugs. If there is no response there you +can try sending me an email with the subject 'Bug - CDW Unit Cell Generator' +along with a thorough description of the bug. Please attached the output files +and the full output of sdtout and stderr along with any other potentially useful +information. + ### Disclaimer I wrote this to be a useful program for computational work done with VASP. There are other tools out there as well and I cannot promise compatability with them or that my code will produce identical results. Please verify the results and -output on your own. +output on your own. Additionally, this project is partially done in my free time +so I make no guarantees about the time line for fixes or additional +features. Likely the best way to fix something is to modify the code yourself +and make a pull request. ### License diff --git a/configure.ac b/configure.ac index 54f76ed..434f08f 100644 --- a/configure.ac +++ b/configure.ac @@ -1,7 +1,11 @@ -AC_INIT([TMD CDW Unit Cell Generator], [0.4.0-devel], - [David Miller ], - [generateTMDSuperCell]) -AM_INIT_AUTOMAKE([subdir-objects]) +AC_INIT( + [TMD Unit Cell Generator], + [0.4.0-devel], + [https://github.com/david-c-miller/cdw-unit-cell-generator/issues], + [generateTMDSuperCell], + [https://github.com/david-c-miller/cdw-unit-cell-generator]) + +AM_INIT_AUTOMAKE([subdir-objects foreign]) AC_PROG_CC AC_PROG_INSTALL AC_CONFIG_FILES([Makefile]) diff --git a/src/printing.c b/src/printing.c index e6e92b7..bc22d72 100644 --- a/src/printing.c +++ b/src/printing.c @@ -27,33 +27,46 @@ as well as the help printed to terminal. ***********************************************************************/ -/* VERSION DO NOT EDIT */ +/* DO NOT EDIT */ +/* VERSION */ #ifndef VERSION -#define VERSION "0.0.0-error" +#define VERSION "version-error" #endif -/* VERSION DO NOT EDIT */ +/* PACKAGE NAME */ +#ifndef PACKAGE_NAME +#define PACKAGE_NAME "TMD Unit Cell Generator" +#endif +/* URL */ +#ifndef PACKAGE_URL +#define PACKAGE_URL "https://github.com/david-c-miller/cdw-unit-cell-generator" +#endif +/* BUG REPORT */ +#ifndef PACKAGE_BUGREPORT +#define PACKAGE_BUGREPORT "https://github.com/david-c-miller/cdw-unit-cell-generator/issues" +#endif +/* DO NOT EDIT */ #include "header.h" void print_xyz(Location loc_m[], Location loc_x[], unsigned n) { unsigned j; - fprintf(stdout,"%d\n",3*n); - fprintf(stdout,"c-cdw-TaS2 super cell SQRT(13)xSQRT(13)x1 (in angstroms)\n"); + fprintf(stdout,"%d\n",3*n); + fprintf(stdout,"c-cdw-TaS2 super cell SQRT(13)xSQRT(13)x1 (in angstroms)\n"); for (j = 0; j < n; j++) { - fprintf(stdout,"Ta %.4f %.4f %.4f\n",\ - loc_m[j].x, loc_m[j].y,loc_m[j].z); - fprintf(stdout,"S %.4f %.4f %.4f\n",\ - loc_x[j].x, loc_x[j].y,loc_x[j].z); - fprintf(stdout,"S %.4f %.4f %.4f\n",\ - loc_x[j+n].x, loc_x[j+n].y,loc_x[j+n].z); + fprintf(stdout,"Ta %.4f %.4f %.4f\n",\ + loc_m[j].x, loc_m[j].y,loc_m[j].z); + fprintf(stdout,"S %.4f %.4f %.4f\n",\ + loc_x[j].x, loc_x[j].y,loc_x[j].z); + fprintf(stdout,"S %.4f %.4f %.4f\n",\ + loc_x[j+n].x, loc_x[j+n].y,loc_x[j+n].z); } } void print_vasp_to_file(Location loc_m[], Location loc_x[], unsigned n,\ - double lattice[3][3], char * name, char * elemM,\ - char * elemX, char * file_name) + double lattice[3][3], char * name, char * elemM,\ + char * elemX, char * file_name) { FILE * fp; unsigned i; @@ -65,7 +78,7 @@ void print_vasp_to_file(Location loc_m[], Location loc_x[], unsigned n,\ for (i = 0; i < 3; i++) fprintf(fp," %.9f %.9f %.9f\n", \ - lattice[i][0], lattice[i][1], lattice[i][2]); + lattice[i][0], lattice[i][1], lattice[i][2]); /* print Element types and number of each element */ fprintf(fp," %s %s\n",elemM,elemX); @@ -86,50 +99,52 @@ void print_help() { print_version(); - fprintf(stdout,"Used to generate various sized unit cells for\n"); - fprintf(stdout,"1T and 2H trilayers of transition metal \n"); - fprintf(stdout,"dichalcogenides (TMD) with the MX2 structure.\n"); - fprintf(stdout,"\n"); - - fprintf(stdout,"All options below must be specified in the\n"); - fprintf(stdout,"following order:\n"); - fprintf(stdout,"\t(1) Lattice parameter a\n"); - fprintf(stdout,"\t(2) Lattice parameter c\n"); - fprintf(stdout,"\t(3) Super cell length a\'\n"); - fprintf(stdout,"\t(4) Super cell length a\'\'\n"); - fprintf(stdout,"\t(5) Super cell length b\'\n"); - fprintf(stdout,"\t(6) Super cell length b\'\'\n"); - fprintf(stdout,"\t(7) Layers (0 for Bulk)\n"); - fprintf(stdout,"\t(8) 1T (T) or 2H (F)\n"); - fprintf(stdout,"\t(9) Randomize coordinates (T/F)\n"); - fprintf(stdout,"\t(10) Element M (use atomic number)\n"); - fprintf(stdout,"\t(11) Element X (use atomic number)\n"); - - fprintf(stdout,"\n"); - fprintf(stdout,"The following options are optional, however\n"); - fprintf(stdout,"12-15 must be specified together and 16-17\n"); - fprintf(stdout,"must be specified together:\n"); - fprintf(stdout,"\t(12) Logical for Strain (T/F)\n"); - fprintf(stdout,"\t(13) Strain a axis (T/F)\n"); - fprintf(stdout,"\t(14) Strain b axis (T/F)\n"); - fprintf(stdout,"\t(15) Strain c axis (T/F)\n"); - fprintf(stdout,"\t(16) Minimum strain (%%)\n"); - fprintf(stdout,"\t(17) Maximum strain (%%)\n"); - fprintf(stdout,"\n"); + fprintf(stdout,"Used to generate various sized unit cells for\n"); + fprintf(stdout,"1T and 2H trilayers of transition metal \n"); + fprintf(stdout,"dichalcogenides (TMD) with the MX2 structure.\n"); + fprintf(stdout,"\n"); + + fprintf(stdout,"All options below must be specified in the\n"); + fprintf(stdout,"following order:\n"); + fprintf(stdout,"\t(1) Lattice parameter a\n"); + fprintf(stdout,"\t(2) Lattice parameter c\n"); + fprintf(stdout,"\t(3) Super cell length a\'\n"); + fprintf(stdout,"\t(4) Super cell length a\'\'\n"); + fprintf(stdout,"\t(5) Super cell length b\'\n"); + fprintf(stdout,"\t(6) Super cell length b\'\'\n"); + fprintf(stdout,"\t(7) Layers (0 for Bulk)\n"); + fprintf(stdout,"\t(8) 1T (T) or 2H (F)\n"); + fprintf(stdout,"\t(9) Randomize coordinates (T/F)\n"); + fprintf(stdout,"\t(10) Element M (use atomic number)\n"); + fprintf(stdout,"\t(11) Element X (use atomic number)\n"); + + fprintf(stdout,"\n"); + fprintf(stdout,"The following options are optional, however\n"); + fprintf(stdout,"12-15 must be specified together and 16-17\n"); + fprintf(stdout,"must be specified together:\n"); + fprintf(stdout,"\t(12) Logical for Strain (T/F)\n"); + fprintf(stdout,"\t(13) Strain a axis (T/F)\n"); + fprintf(stdout,"\t(14) Strain b axis (T/F)\n"); + fprintf(stdout,"\t(15) Strain c axis (T/F)\n"); + fprintf(stdout,"\t(16) Minimum strain (%%)\n"); + fprintf(stdout,"\t(17) Maximum strain (%%)\n"); + fprintf(stdout,"\n"); } void print_version() { - fprintf(stdout,"TMD CDW Unit Cell Generator %s\n",VERSION); - fprintf(stdout,"Copyright (C) 2016-2017 David C. Miller\n"); - fprintf(stdout,"\n"); - fprintf(stdout,"Code written by David C. Miller (mill2723 at msu dot edu)\n"); - fprintf(stdout,"\n"); - fprintf(stdout,"This code is licensed under the GNU LGPL License\n"); - fprintf(stdout,"For details see \n"); - fprintf(stdout,"There is NO warranty; not even for MERCHANTABILITY or\n"); - fprintf(stdout,"FITNESS FOR A PARTICULAR PURPOSE.\n"); - fprintf(stdout,"\n"); + fprintf(stdout,"%s %s\n",PACKAGE_NAME, VERSION); + fprintf(stdout,"Copyright (C) 2016-2017 David C. Miller\n"); + fprintf(stdout,"\n"); + fprintf(stdout,"Code written by David C. Miller (mill2723 at msu dot edu)\n"); + fprintf(stdout,"Available at: <%s>\n",PACKAGE_URL); + fprintf(stdout,"Send bug reports to: <%s>\n",PACKAGE_BUGREPORT); + fprintf(stdout,"\n"); + fprintf(stdout,"This code is licensed under the GNU LGPL License\n"); + fprintf(stdout,"For details see \n"); + fprintf(stdout,"There is NO warranty; not even for MERCHANTABILITY or\n"); + fprintf(stdout,"FITNESS FOR A PARTICULAR PURPOSE.\n"); + fprintf(stdout,"\n"); } void print_test_start() @@ -137,18 +152,18 @@ void print_test_start() print_version(); /*fprintf(stdout,"\n\n"); */ - fprintf(stdout,"---------------------------------------------------\n"); - fprintf(stdout,"Test Suite Output for TMD CDW Unit Cell Generator\n"); - fprintf(stdout,"---------------------------------------------------\n"); - fprintf(stdout,"Test Output Starting...\n"); - fprintf(stdout,"\n"); - fprintf(stdout,"Starting VASP Monolayer Test\n"); + fprintf(stdout,"---------------------------------------------------\n"); + fprintf(stdout,"Test Suite Output for %s\n",PACKAGE_NAME); + fprintf(stdout,"---------------------------------------------------\n"); + fprintf(stdout,"Test Output Starting...\n"); + fprintf(stdout,"\n"); + fprintf(stdout,"Starting VASP Monolayer Test\n"); test_print_vasp_monolayer(); - fprintf(stdout,"VASP Monolayer Test Output Complete (Comparison Pending...)\n"); + fprintf(stdout,"VASP Monolayer Test Output Complete (Comparison Pending...)\n"); - fprintf(stdout,"Starting VASP Bulk Test\n"); + fprintf(stdout,"Starting VASP Bulk Test\n"); test_print_vasp_bulk(); - fprintf(stdout,"VASP Bulk Test Output Complete (Comparison Pending...)\n"); + fprintf(stdout,"VASP Bulk Test Output Complete (Comparison Pending...)\n"); } From 128de9cbae2eb0aaf5b9ef62fd36cbb6cdace6c9 Mon Sep 17 00:00:00 2001 From: David Miller Date: Mon, 13 Feb 2017 18:57:17 -0500 Subject: [PATCH 7/8] Remove duplicated section fromm README --- README.md | 25 +++++++++++-------------- 1 file changed, 11 insertions(+), 14 deletions(-) diff --git a/README.md b/README.md index eb04261..ba19d01 100644 --- a/README.md +++ b/README.md @@ -80,20 +80,11 @@ super-cell size. These describe how the super-cell is constructed in terms of the original a and b lattice parameters (where b is at 120 degrees to a for the hexagonal primitive cell). This allows for not only typical super cells. For example a 3x3 super cell would be (3,0) x (0,3). More complex cells like the -Star of David distortion in TaS2 are also possible where the \sqrt(13)x\sqrt(13) +Star of David distortion in TaS2 are also possible where the $\sqrt{13}x\sqrt{13}$ cell is given by (4,1) x (-1,3) which results in the proper angle between the super cell and the primitive cell. -### Bugs -Please report bugs to me (`mill2723 at msu dot edu`) with the subject "TMD CDW -Coordinate Generator - Bug" and a description of the relevant information about -how to replicate the bug. Please include: the program being run, version -information, an attached input and output file (if possible), the results of -stdout and stderr, and a description of what you expected. - -I will try to take a look at it as soon as possible and get back to you with a -fix or a patch. ### Compiling and Installing @@ -161,10 +152,16 @@ For other information go to: Please reports all bugs in the GitHub [Issues](https://github.com/david-c-miller/cdw-unit-cell-generator/issues) section. This way others can view the bugs. If there is no response there you -can try sending me an email with the subject 'Bug - CDW Unit Cell Generator' -along with a thorough description of the bug. Please attached the output files -and the full output of sdtout and stderr along with any other potentially useful -information. +can try sending me an email with the subject "Bug - CDW Unit Cell Generator" +along with a thorough description of the bug. Please include the following: ++ output files ++ full printout of stdout and stderr ++ version ++ any other potentially useful information ++ description of what you expected and what went wrong + +I will try to take a look at it as soon as possible and get back to you with a +fix or a patch. ### Disclaimer From bf07e1c26f59edf53463d468fc4e84e1503b3503 Mon Sep 17 00:00:00 2001 From: David Miller Date: Mon, 13 Feb 2017 18:58:30 -0500 Subject: [PATCH 8/8] Version update to 0.3.0 --- configure.ac | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/configure.ac b/configure.ac index 434f08f..b01cad4 100644 --- a/configure.ac +++ b/configure.ac @@ -1,10 +1,10 @@ AC_INIT( [TMD Unit Cell Generator], - [0.4.0-devel], + [0.3.0], [https://github.com/david-c-miller/cdw-unit-cell-generator/issues], [generateTMDSuperCell], [https://github.com/david-c-miller/cdw-unit-cell-generator]) - + AM_INIT_AUTOMAKE([subdir-objects foreign]) AC_PROG_CC AC_PROG_INSTALL