Update of /cvsroot/fink/dists/10.3/stable/main/finkinfo/sci
In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv3764
Added Files:
ccp4.info ccp4.patch
Log Message:
ccp4 promoting to stable/sci 10.3
--- NEW FILE: ccp4.info ---
Package: ccp4
Version: 5.0.1
Revision: 15
#
# Revision 15 includes all released patches up through July 27 2004
#
Source: ftp://ftp.%n.ac.uk/%n/current/packed/%n-%v.tar.gz
Source-MD5: c2087efdd9c30ccfd39ac5e60d1fdfde
SourceDirectory: %n-%v
Source2:
http://chemistry.ucsc.edu/~wgscott/xtal/xtalfink/XCCPJiffy-custom.gz
Source2-MD5: 21568dd2475505929573a3fd452c538f
#
Depends: x11, tcltk, blt
BuildDepends: g77 (>= 3.4.0-2), f2c, fort77, tcltk-dev
Replaces: mosflm (<= 6.2.3-2), mosflm-small (<= 6.2.3-2), refmac (<=
5.1999-3)
NoSetCPPFLAGS: true
NoSetLDFLAGS: true
Patch: %n.patch
PatchScript: <<
#!/bin/zsh -f
umask 0022
#
# setup script for tchs, zsh and bash users
perl -pi -e 's|/sw|%p|g' include/%n.setup* # location of
tcktk, blt
perl -pi -e 's|/xtal|%p/src/%f|g' include/%n.setup* # build prefix
(changed in install)
cp include/%n.setup-dist include/%n.setup
#
# Quick-fix for some compilation header omissions
cp %p/include/f2c.h lib/ccif/g2c.h
cp %p/include/f2c.h lib/src/g2c.h
cp %p/include/f2c.h lib/g2c.h
cp %p/include/f2c.h x-windows/Mosflm/cbf/src/g2c.h
cp %p/include/f2c.h x-windows/Mosflm/src/g2c.h
cp %p/include/f2c.h x-windows/RasMol/src/g2c.h
cp %p/include/f2c.h x-windows/ipdisp/src/g2c.h
cp %p/include/f2c.h x-windows/xdl_view/src/g2c.h
#
# Set up XCCPJiffy wrapper scripts in $CCP4/etc
perl -pi -e 's|/sw|%p|g' etc/x*
chmod a+x etc/x*
#
<<
CompileScript: <<
#!/bin/zsh -f
umask 0022
. include/%n.setup-sh
./configure --with-x Darwin
# fix a post-configure bug
perl -pi -e 's/EXTRA_LOAD_FLAGS = -lg2c//g'
x-windows/XCCPJIFFY/Imakefile
#
make -i
make -i install
mv $CBIN/xplot84driver $CBIN/xplot84driver.exe
#
# Manually link xloggraph with g77 (fails in make)
cd x-windows/XCCPJIFFY
g77 -fno-second-underscore -o xloggraph -L/usr/lib msg_box.o ZDr2d.o
EditString.o hardcopy_ctrl.o xloggraph.o log_file.o
tom_fortran_interface.o bits_and_pieces.o graphics.o -g -Os
-I/usr/include/X11R6 -L/usr/X11R6/lib -lXaw -lXmu -lXt -lSM -lICE
-lXpm -lXext -lX11 -lm -lgcc
#
cp xloggraph $CBIN/xloggraph.exe
cd ../..
#
make clean
<<
InstallScript: <<
#!/bin/zsh -f
umask 0022
. include/%n.setup-sh
# Change environment scripts to match final installation
perl -pi -e 's|%p/src/%f|%p/share/xtal|g' include/%n.setup-sh #
install prefix
perl -pi -e 's|%p/src/%f|%p/share/xtal|g' include/%n.setup #
install prefix
#
mkdir -p %i/share/xtal/%n-%v
mkdir -p %i/share/man/man1
# set up man pages in a fink-compliant manner
cd %p/src/%n-%v-%r/%n-%v/doc
mv rasmol.doc eightbit_rasmol.doc
foreach docfilepage ( *.doc )
cp ${docfilepage} %i/share/man/man1/${docfilepage:r}.1
end
# back to source directory
cd %p/src/%n-%v-%r/%n-%v
#
# install everything in one place -- users will require this
cp -R * %i/share/xtal/%n-%v/.
#
mkdir -p %i/lib/app-defaults
gunzip ../XCCPJiffy-custom.gz ; chmod a+x ../XCCPJiffy-custom
mv lib/X11/app-defaults/XCCPJiffy lib/X11/app-defaults/XCCPJiffy-dist
cp ../XCCPJiffy-custom lib/X11/app-defaults/XCCPJiffy
cp ../XCCPJiffy-custom %i/lib/app-defaults/XCCPJiffy
#
# make scripts for %p/etc/profile.d
mkdir -p %i/etc/profile.d
echo "source %p/share/xtal/%n-%v/include/%n.setup" >
%i/etc/profile.d/%n.csh
echo ". %p/share/xtal/%n-%v/include/%n.setup-sh" >
%i/etc/profile.d/%n.sh
chmod a+x %i/etc/profile.d/%n.*
#
# needed for compilation of ancilliary programs such as future
versions of mosflm
#
ranlib %i/share/xtal/%n-%v/lib/*.a
#
<<
Description: Macromolecular crystallography package
DescDetail: <<
CCP4 macromolecular crystallography program suite
This version compiles with Apple's Lapack/Blas
http://www.ccp4.ac.uk
License agreement is part of configure file -- print out form and mail
in,
additional comments at
http://chemistry.ucsc.edu/~wgscott/xtal/page5.html
CCP4 files will be installed under /sw/share/xtal/ccp4-5.0.1
<<
DocFiles: README CHANGES COPYING PROBLEMS INSTALL INSTALL.html
INSTALL.ps ccp4i_installation.html academic_software_licence.pdf
academic_software_licence.ps.gz academic_software_licence.rtf
Homepage: http://www.ccp4.ac.uk
License: Restrictive
Maintainer: W. G. Scott <[EMAIL PROTECTED]>
--- NEW FILE: ccp4.patch ---
diff -ruN ccp4-5.0.1-orig/ccp4i/scripts/dhm_tool.script
ccp4-5.0.1/ccp4i/scripts/dhm_tool.script
--- ccp4-5.0.1-orig/ccp4i/scripts/dhm_tool.script 2004-07-02
08:56:14.000000000 -0700
+++ ccp4-5.0.1/ccp4i/scripts/dhm_tool.script 2004-07-12
16:12:40.000000000 -0700
@@ -10,7 +10,8 @@
if { $PDB_EXTRACT == 1 && $XML != 1 } {
- if { $EXTRACT_STEP == "scaling" && $SCALING != "" } {
+ if { $EXTRACT_STEP == "scaling" && $SCALING != "" &&
+ ($SCALING_LOGIN != "" || $SCALING1_LOGIN != "" ||
$SCALING_CIFIN != "") } {
append cmd " -s " $SCALING
if { $SCALING_LOGIN != "" } {
append cmd " -iLOG " $SCALING_LOGIN
@@ -25,7 +26,9 @@
}
- if { $EXTRACT_STEP == "phasing" && $EXP_MENU != "" && $PHASING !=
""} {
+ if { $EXTRACT_STEP == "phasing" && $EXP_MENU != "" && $PHASING != ""
+ && ($PHASING_LOGIN != "" || $PHASING1_LOGIN != "" ||
+ $PHASING_PDBIN != "" || $PHASING_CIFIN != "") } {
append cmd " -e " $EXP_MENU
append cmd " -p " $PHASING
if { $PHASING_LOGIN != "" } {
@@ -44,7 +47,9 @@
}
- if { $EXTRACT_STEP == "replacement" && $REPLACEMENT != "" } {
+ if { $EXTRACT_STEP == "replacement" && $REPLACEMENT != "" &&
+ ( $REPLACEMENT_LOGIN != "" || $REPLACEMENT1_LOGIN != "" ||
+ $REPLACEMENT_CIFIN != "") } {
append cmd " -m " $REPLACEMENT
if { $REPLACEMENT_LOGIN != "" } {
append cmd " -iLOG " $REPLACEMENT_LOGIN
@@ -59,7 +64,8 @@
}
- if { $EXTRACT_STEP == "den_mod" && $DEN_MOD != "" } {
+ if { $EXTRACT_STEP == "den_mod" && $DEN_MOD != "" &&
+ ( $DM_LOGIN != "" || $DM_CIFIN != "") } {
append cmd " -d " $DEN_MOD
if { $DM_LOGIN != "" } {
append cmd " -iLOG " $DM_LOGIN
@@ -71,7 +77,8 @@
}
- if { $EXTRACT_STEP == "refinement" && $REFINEMENT != "" } {
+ if { $EXTRACT_STEP == "refinement" && $REFINEMENT != "" &&
+ ($REFINE_CIFIN != "" || $REFINE_PDBIN != "" ||
$REFINE_LOGIN != "")} {
append cmd " -r " $REFINEMENT
if { $REFINE_CIFIN != "" } {
append cmd " -iCIF " $REFINE_CIFIN
@@ -97,7 +104,8 @@
if { $EXTRACT_STEP == "merge" } {
- if { $SCALING != "" } {
+ if { $SCALING != "" &&
+ ($SCALING_LOGIN != "" || $SCALING1_LOGIN != "" ||
$SCALING_CIFIN != "")} {
append cmd " -s " $SCALING
if { $SCALING_LOGIN != "" } {
append cmd " -iLOG " $SCALING_LOGIN
@@ -111,7 +119,9 @@
}
- if { $EXP_MENU != "" && $PHASING != ""} {
+ if { $EXP_MENU != "" && $PHASING != "" &&
+ ($PHASING_LOGIN != "" || $PHASING1_LOGIN != "" ||
+ $PHASING_PDBIN != "" || $PHASING_CIFIN != "" )} {
append cmd " -e " $EXP_MENU
append cmd " -p " $PHASING
if { $PHASING_LOGIN != "" } {
@@ -129,7 +139,9 @@
}
- if { $REPLACEMENT != "" } {
+ if { $REPLACEMENT != "" &&
+ ($REPLACEMENT_LOGIN != "" || $REPLACEMENT1_LOGIN != ""||
+ $REPLACEMENT_CIFIN != "") } {
append cmd " -m " $REPLACEMENT
if { $REPLACEMENT_LOGIN != "" } {
append cmd " -iLOG " $REPLACEMENT_LOGIN
@@ -143,7 +155,8 @@
}
- if { $DEN_MOD != "" } {
+ if { $DEN_MOD != "" &&
+ ($DM_LOGIN != "" || $DM_CIFIN != "")} {
append cmd " -d " $DEN_MOD
if { $DM_LOGIN != "" } {
append cmd " -iLOG " $DM_LOGIN
@@ -154,7 +167,8 @@
}
- if { $REFINEMENT != "" } {
+ if { $REFINEMENT != "" &&
+ ($REFINE_CIFIN != "" || $REFINE_PDBIN != "" ||
$REFINE_LOGIN != "")} {
append cmd " -r " $REFINEMENT
if { $REFINE_CIFIN != "" } {
append cmd " -iCIF " $REFINE_CIFIN
diff -ruN ccp4-5.0.1-orig/ccp4i/tasks/fffear.tcl
ccp4-5.0.1/ccp4i/tasks/fffear.tcl
--- ccp4-5.0.1-orig/ccp4i/tasks/fffear.tcl 2004-01-26
03:24:01.000000000 -0800
+++ ccp4-5.0.1/ccp4i/tasks/fffear.tcl 2004-07-12 16:13:14.000000000
-0700
@@ -140,8 +140,8 @@
emp-turn_b-9 \
emp-helixend-9 \
theor-helix-10 \
- theor-strand-5 \
- theor-helix-10 \
+ theor-helix-5 \
+ theor-strand-10 \
theor-strand-5 ]
diff -ruN ccp4-5.0.1-orig/etc/xloggraph ccp4-5.0.1/etc/xloggraph
--- ccp4-5.0.1-orig/etc/xloggraph 1969-12-31 16:00:00.000000000 -0800
+++ ccp4-5.0.1/etc/xloggraph 2004-07-12 16:13:49.000000000 -0700
@@ -0,0 +1,6 @@
+#!/bin/zsh
+export XUSERFILESEARCHPATH=/sw/lib/app-defaults/XCCPJiffy
+xloggraph.exe "$@" &
+export XUSERFILESEARCHPATH=""
+print "Plot button sends pdf to Preview. Print or save pdf in
Preview window."
+exit 0
diff -ruN ccp4-5.0.1-orig/etc/xplot84 ccp4-5.0.1/etc/xplot84
--- ccp4-5.0.1-orig/etc/xplot84 1969-12-31 16:00:00.000000000 -0800
+++ ccp4-5.0.1/etc/xplot84 2004-07-12 16:13:44.000000000 -0700
@@ -0,0 +1,6 @@
+#!/bin/zsh
+export XUSERFILESEARCHPATH=/sw/lib/app-defaults/XCCPJiffy
+xplot84driver.exe "$@" &
+export XUSERFILESEARCHPATH=""
+print "Plot button sends pdf to Preview. Print or save pdf in
Preview window."
+exit 0
diff -ruN ccp4-5.0.1-orig/etc/xplot84driver
ccp4-5.0.1/etc/xplot84driver
--- ccp4-5.0.1-orig/etc/xplot84driver 1969-12-31 16:00:00.000000000
-0800
+++ ccp4-5.0.1/etc/xplot84driver 2004-07-12 16:13:44.000000000 -0700
@@ -0,0 +1,6 @@
+#!/bin/zsh
+export XUSERFILESEARCHPATH=/sw/lib/app-defaults/XCCPJiffy
+xplot84driver.exe "$@" &
+export XUSERFILESEARCHPATH=""
+print "Plot button sends pdf to Preview. Print or save pdf in
Preview window."
+exit 0
diff -ruN ccp4-5.0.1-orig/include/ccp4.setup-bash
ccp4-5.0.1/include/ccp4.setup-bash
--- ccp4-5.0.1-orig/include/ccp4.setup-bash 2004-07-05
07:53:54.000000000 -0700
+++ ccp4-5.0.1/include/ccp4.setup-bash 1969-12-31 16:00:00.000000000
-0800
@@ -1,355 +0,0 @@
-#!/bin/bash
-# CCP4 setup file for bash or ksh (untested) users. -*- shell-script
-*-
-# Actually, the aliases can't work asis in ksh. Should use builtins
instead
-# and not worry about ease of keeping in step with the csh one.
-
-# $Id: ccp4.setup-bash,v 1.61 2004/07/05 14:53:54 pjx Exp $
-
-# This file is site specific and may also contain machine-specifics.
The CCP4
-# administrator will have to edit this file and then have anyone who
wants to
-# use CCP4 source it from their .login file. They will require the
full path
-# name since no environment variables relevant to CCP4 are known
until this is
-# executed.
-
-# For sites with more than one machine, it is recommended that the
suite is
-# installed on a single machine and other machines access the source
code, and
-# shareable files (such as this one) via shared file systems with
NFS, RFS
-# etc. Non-shareable files reside in $CBIN and $CLIB (see below).
-
-# Copy this file to ccp4.setup and customise it for your needs. There
are
-# three sections. You MUST check the first section. You may want to
check
-# the second. You don't need to look at the third.
-
-################### THIS SECTION SHOULDN'T NEED EDITING
#####################
-
-# first emulate csh setenv and alias so we can keep the bash and csh
-# versions as similar as possible
-setenv () { export $1="$2" ; }
-# Note that bash has a (different) alias command so we need to undo
this
-# later. I wonder if it is robust :-)
-if [ "`basename $SHELL`" != "ksh" ]; then # can't redefine alias in
ksh
-alias () { eval `echo $1; shift; echo '() { ' $*; echo '; }'` ; }
-fi
-
-################### THIS SECTION MUST BE EDITED #####################
-
-# CCP4_MASTER is the location of the top-level directory containing
`ccp4-<version>'
-# This is usually the directory in which you ran the tar command to
unpack the
-# code, and is assumed to be shared between machines at a
multi-machine site.
-
-setenv CCP4_MASTER /xtal
-setenv CCP4 $CCP4_MASTER/ccp4-5.0.1
-
-# Check for existence of CCP4_MASTER
-if (! test -d $CCP4_MASTER) ; then
- echo "********************* WARNING **********************"
- echo "The directory $CCP4_MASTER"
- echo "(assigned to CCP4_MASTER) does not exist."
- echo "The CCP4 programs will not run correctly, and any"
- echo "installation attempt will have errors or will fail."
- echo "********************* WARNING **********************"
-fi
-
-# CCP4_SCR: a per-user directory for run-time-generated scratch
-# files. A dedicated scratch filesystem is probably better than
(/usr)/tmp
-# BINSORT_SCR: a scratch directory for binsort's use; normally same
as CCP4_SCR
-
-setenv CCP4_SCR /tmp/$USER
-# check to see if this exists and if not try to make it
-test -d $CCP4_SCR || mkdir $CCP4_SCR
-test -d $CCP4_SCR || \
- echo "Unable to make CCP4_SCR. CCP4 progs will not run correctly."
-
-setenv BINSORT_SCR $CCP4_SCR
-
-### CCP4i setup - you may need to edit CCP4I_TCLTK ###
-# CCP4I_TOP - the top directory of the interface
-setenv CCP4I_TOP ${CCP4}/ccp4i
-# CCP4I_TCLTK - directory containing tclsh,wish and bltwish
executables
-# as used in $CCP4I_TOP/bin/ccp4i,ccp4ish,loggraph
-# For 'standard' installations this is /usr/local/bin
-# but note the SGI distributed version of Tcl/Tk is not
-# appropriate version
-setenv CCP4I_TCLTK /usr/local/bin
-# CCP4I_HELP - directory contain ccp4i help - default is
$CCP4I_TOP/help
-setenv CCP4I_HELP ${CCP4I_TOP}/help
-
-### Optional - setting http_proxy environment
-# The commented out 'setenv' line below may have to be declared to
download
-# and edit protein sequences using the new "Import/Edit Protein
Sequences"
-# (This may also be required for remote job submission in arp/warp.)
-# task. If so, uncomment this line and replace the example proxy URL
with your
-# relevant URL
-
-#setenv HTTP_PROXY wwwblah.blah.ac.uk:xxxx/blah.blah
-
-################### NOVICE USERS STOP HERE #####################
-
-################### OPTIONS TO CUSTOMISE CCP4 #####################
-
-# By default, CCP4 directories are appended to the end of paths (PATH,
-# LD_LIBRARY_PATH, and DYLD_LIBRARY_PATH). If ccp4_first_in_path is
set
-# to 1, then they will be prepended to the beginning of paths.
-ccp4_first_in_path=0
-
-# The commented-out switch statement below provides an example of how
-# to use this file for several machines/architectures sharing
$CCP4_MASTER.
-# If necessary, uncomment and edit this. Otherwise, if you're only
supporting
-# a single system alter the uncommented part as necessary.
-#
-# The significance of the environment variables is as follows:
-# CBIN: location of the executables -- must be on your path (see
below);
-# CLIB: location of (binary) library files such as libccp4.a and
libccp4.so;
-# MANPATH: set this if your system's `man' looks at such an
environment
-# variable to determine where to look for man pages. By adding
-# $CCP4/man to the normal path you get the CCP4 man pages
-# with keyword searching as system ones.
-# MCTYPE: used for LAUE make -- see LAUE documentation
-# CCP4_BROWSER: set this if you intend to use the html documentation
-# (recommended). It should have the path and name of a html
browser eg
-# /usr/bin/X11/netscape or /usr/local/bin/lynx. The browser will
be
-# started with the alias ccp4help and will open the file
-# $CHTML/INDEX.html.
-
-# case `hostname` in # edit this case statement if used
-# # for multiple systems
-# foo)
- setenv CBIN $CCP4/bin
- setenv CLIB $CCP4/lib
-
- setenv CCP4_BROWSER netscape
-
- if test "$MANPATH"; then
- if [ $ccp4_first_in_path -eq 1 ]; then
- setenv MANPATH ${CCP4}/man:${MANPATH}
- else
- setenv MANPATH ${MANPATH}:${CCP4}/man
- fi
- else
- if [ $ccp4_first_in_path -eq 1 ]; then
- setenv MANPATH ${CCP4}/man:/usr/share/man
- else
- setenv MANPATH /usr/share/man:${CCP4}/man
- fi
- fi
- setenv MCTYPE unix # (only for Laue)
-# ;;
-# *)
-# echo "CCP4 not implemented on this system"
-# exit 1
-# ;;
-# esac
-
-case `uname` in
-*Darwin* )
- ulimit -s 65536
- ;;
-* )
- ;;
-esac
-
-# The following are for all systems
-setenv CCP4_LIB $CLIB
-setenv CCP4_BIN $CBIN
-
-# CLASSPATH for Java
-if test "$CLASSPATH"; then
- if [ $ccp4_first_in_path -eq 1 ]; then
- setenv CLASSPATH ${CBIN}:${CLASSPATH}
- else
- setenv CLASSPATH ${CLASSPATH}:${CBIN}
- fi
-else
- if [ $ccp4_first_in_path -eq 1 ]; then
- setenv CLASSPATH ${CBIN}:.
- else
- setenv CLASSPATH .:${CBIN}
- fi
-fi
-
-### PLOT_COMMAND PRINT_COMMAND for the XCCPJIFFY programs to compile
###
-setenv PLOT_COMMAND 'lp -s -dmicrolaser'
-setenv PRINT_COMMAND 'lp -s -denscript'
-
-# HARVESTHOME specifies location of harvesting files (defaults to
$HOME)
-#setenv HARVESTHOME
-
-### CCP4_OPEN ###
-# CCP4_OPEN may be set to 'UNKNOWN' to stop open failures for files
opened
-# as NEW that already exist. Novices should use 'NEW' to avoid
inadvertant
-# over-writing of existing files, which is then treated as a fatal
error.
-
-setenv CCP4_OPEN UNKNOWN
-
-### BINSORT_MEM ###
-# BINSORT_MEM is workspace used by the binsort program. In principle
this
-# value is machine-dependent. It may benefit from being enlarged,
but values
-# higher than 2M have been reported to cause excessive paging on some
systems.
-# You might like to experiment with a program such as fft with
different
-# values -- 102400 (bytes) is the default. csh's `time' command can
tell you
-# about paging.
-#
-# setenv BINSORT_MEM 8388608
-
-# LD_LIBRARY_PATH specifies where to find dynamic libraries (e.g.
libccp4.so)
-# at runtime
-if test "$LD_LIBRARY_PATH"; then
- if [ $ccp4_first_in_path -eq 1 ]; then
- setenv LD_LIBRARY_PATH ${CLIB}:${LD_LIBRARY_PATH}
- else
- setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:${CLIB}
- fi
-else
- setenv LD_LIBRARY_PATH ${CLIB}
-fi
-
-# DYLD_LIBRARY_PATH specifies where to find dynamic libraries (e.g.
libccp4.dylib)
-# at runtime (used on Mac OS X)
-if test "$DYLD_LIBRARY_PATH"; then
- if [ $ccp4_first_in_path -eq 1 ]; then
- setenv DYLD_LIBRARY_PATH ${CLIB}:${DYLD_LIBRARY_PATH}
- else
- setenv DYLD_LIBRARY_PATH ${DYLD_LIBRARY_PATH}:${CLIB}
- fi
-else
- setenv DYLD_LIBRARY_PATH ${CLIB}
-fi
-
-### XAPPLRESDIR ###
-
-# If you want to use xloggraph/xplot84driver, you need to get the
application
-# defaults picked up somehow. As distributed, the file can't just
live in an
-# application defaults directory since it requires reading by xrdb to
sort out
-# the differences for monochrome displays. At Daresbury a version of
the file
-# assuming a monochrome display is kept in the directory
-# $CCP4_LIB/X11/app-defaults and this is picked up through the
-# XUSERFILESEARCHPATH environment variable. That means you only see
black and
-# white on a colour display. Alternatively you might make sure that
it is
-# read by xrdb on startup of the X Windows system or delegate the
-# responsibility to users to run it. There are disadvantages to
putting an
-# invocation of xrdb in here, one being that the correct value of
DISPLAY may
-# not be set at the time this file is read. Thus edit this part as
-# appropriate. (SunOS will normally want to use /usr/openwin or
$OPENWINHOME
-# instead of /usr; others may want /usr/local/lib or somw such):
-if test "$XUSERFILESEARCHPATH"; then
- setenv XUSERFILESEARCHPATH
$CCP4_LIB/X11/app-defaults/%N:$XUSERFILESEARCHPATH
-else
- setenv XUSERFILESEARCHPATH
$CCP4_LIB/X11/app-defaults/%N:/usr/lib/X11/app-defaults
-fi
-
-### TRAPPFE ###
-# TRAPFPE is set to ensure (in collaboration with -lfpe) an abort on
floating
-# point exceptions under IRIX. It shouldn't cause harm on other
systems, but
-# edit this to comment it out if necessary.
-setenv TRAP_FPE "OVERFL=ABORT; DIVZERO=ABORT; INVALID=ABORT"
-
-# The following can be used to put a message of the day to announce
news about
-# CCP4 or whatever to CCP4 users. You might also want to edit this
part to
-# have machine-specific messages dependent on `hostname`.
-test -r $CCP4/include/ccp4.msg && cat $CCP4/include/ccp4.msg
-
-################### EXPERIENCED USERS STOP HERE #####################
-
-################### THE REST SHOULDN'T NEED EDITING
#####################
-
-### MMCIFDIC is now defined here. cif_mmdic.lib is a binary file ===
-# so on multiple installs it need to be unique and not in $CLIBD
-
-setenv MMCIFDIC $CLIB/cif_mmdic.lib
-
-### MOLREPLIB Point to the location of the files bs-zeros.dat
ps.resource symlib.blc
-# They are distributed with CCP4 in $CLIBD. This env must have the
trailing \ or /
-
-setenv MOLREPLIB $CCP4/lib/data/monomers/
-
-### CLIBD_MON Point to the location of the dictionary files for
REFMAC5
-# They are distributed with CCP4 in $CLIBD/monomers. This env must
have
-# the trailing \ or /
-
-setenv CLIBD_MON $CCP4/lib/data/monomers/
-
-### PUBLIC_FONT84, CCP4_HELPDIR, HELPDIR, MOSHELPFILE ###
-# (essential for the relevant programs)
-setenv PUBLIC_FONT84 $CLIB/font84.dat # plot84 fonts [used by
plot84lib]
-
-# location of VMS-style help files required for mosflm [used by
hlplib, chelp,
-# chlp, (ip)mosflm]:
-setenv CCP4_HELPDIR $CCP4/help/ # NB trailing /
-setenv HELPDIR $CCP4_HELPDIR # for chelp
-setenv MOSHELPFILE mosflm # required by (ip)mosflm
-
-# Rasmol path. Needed for prog. to find rasmol.hlp
-setenv RASMOLPATH $CCP4/x-windows/RasMol/src
-
-# CCP4 executables and scripts live in $CBIN and $CETC respectively;
put them
-# on the path in an appropriate order for scripts to be used as
wrappers for
-# binaries of the same name. Put ccp4 stuff after the current path
to avoid
-# confusion with `.' or whatever in the path:
-#
-# This construct prevents the path getting longer each time
ccp4.setup is
-# executed (A. Perrakis)
-ccp4pathlist="${CCP4}/etc ${CBIN} ${CCP4I_TOP}/bin "
-#
-for dir in ${ccp4pathlist}; do
- if [ `expr ":${PATH}:" : ".*:${dir}:"` -eq 0 ]; then
- if [ $ccp4_first_in_path -eq 1 ]; then
- setenv PATH ${dir}:${PATH}
- else
- setenv PATH ${PATH}:${dir}
- fi
- fi
-done
-
-# Optional (useful) additional environment variables
- setenv CCP4 $CCP4
- setenv CDOC $CCP4/doc
- setenv CHTML $CCP4/html
- setenv CETC $CCP4/etc
- setenv CEXAM $CCP4/examples
- setenv CINCL $CCP4/include
- setenv CLIBD $CCP4/lib/data
- setenv CLIBS $CCP4/lib/src
- setenv CPROG $CCP4/src
-
-if [ "`basename $SHELL`" != "ksh" ]; then
-# useful aliases, at least for developers
- alias ccp4 'pushd $CCP4>/dev/null'
- alias xtal 'pushd $CCP4_MASTER>/dev/null'
- alias cbin 'pushd $CBIN>/dev/null'
- alias cetc 'pushd $CETC>/dev/null'
- alias cprog 'pushd $CPROG>/dev/null'
- alias cincl 'pushd $CINCL>/dev/null'
- alias clib 'pushd $CLIB>/dev/null'
- alias clibd 'pushd $CLIBD>/dev/null'
- alias clibs 'pushd $CLIBS>/dev/null'
- alias cbin 'pushd $CBIN>/dev/null'
- alias cexam 'pushd $CEXAM>/dev/null'
- alias cdoc 'pushd $CDOC>/dev/null'
- alias chtml 'pushd $CHTML>/dev/null'
- alias ccp4help '$CCP4_BROWSER $CHTML/INDEX.html \&'
-
-### laue, lget, linkimages ###
-# Essential aliases for the Laue software suite
- alias laue '$CCP4_MASTER/laue/cmd/laue.cmd'
- alias lget '$CCP4_MASTER/laue/cmd/lget.cmd'
- alias linkimages '$CCP4_MASTER/laue/cmd/linkimages.cmd'
-
-# additional useful aliases for Laue directories
- alias llaue 'pushd $CCP4_MASTER/laue'
- alias lsrc 'pushd $CCP4_MASTER/laue/src>/dev/null'
- alias llib 'pushd $CCP4_MASTER/laue/lib>/dev/null'
- alias llibs 'pushd $CCP4_MASTER/laue/lib/src>/dev/null'
- alias ldoc 'pushd $CCP4_MASTER/laue/doc>/dev/null'
- alias lmak 'pushd $CCP4_MASTER/laue/make>/dev/null'
- alias lutils 'pushd $CCP4_MASTER/laue/utils>/dev/null'
- alias lcmd 'pushd $CCP4_MASTER/laue/cmd>/dev/null'
- alias ldl 'pushd $CCP4_MASTER/laue/dl>/dev/null'
- alias ltestd 'pushd $CCP4_MASTER/laue/testdata>/dev/null'
- alias lxdl 'pushd $CCP4_MASTER/laue/xdl_view>/dev/null'
- alias lxdls 'pushd $CCP4_MASTER/laue/xdl_view/src>/dev/null'
- alias lgnom 'pushd $CCP4_MASTER/laue/gnom>/dev/null'
- alias lgnoms 'pushd $CCP4_MASTER/laue/gnom/src>/dev/null'
- alias lbin 'pushd $CBIN>/dev/null'
-
- unset alias # clean up
-fi # ksh test
diff -ruN ccp4-5.0.1-orig/include/ccp4.setup-dist
ccp4-5.0.1/include/ccp4.setup-dist
--- ccp4-5.0.1-orig/include/ccp4.setup-dist 2004-07-05
07:53:55.000000000 -0700
+++ ccp4-5.0.1/include/ccp4.setup-dist 2004-07-12 16:09:21.000000000
-0700
@@ -54,10 +54,10 @@
setenv CCP4I_TOP ${CCP4}/ccp4i
# CCP4I_TCLTK - directory containing tclsh,wish and bltwish
executables
# as used in $CCP4I_TOP/bin/ccp4i,ccp4ish,loggraph
-# For 'standard' installations this is /usr/local/bin
+# For 'standard' installations this is /sw/bin
# but note the SGI distributed version of Tcl/Tk is not
# appropriate version
-setenv CCP4I_TCLTK /usr/local/bin
+setenv CCP4I_TCLTK /sw/bin
# CCP4I_HELP - directory contain ccp4i help - default is
$CCP4I_TOP/help
setenv CCP4I_HELP ${CCP4I_TOP}/help
@@ -94,7 +94,7 @@
# MCTYPE: used for LAUE make -- see LAUE documentation
# CCP4_BROWSER: set this if you intend to use the html documentation
# (recommended). It should have the path and name of a html
browser eg
-# /usr/bin/X11/netscape or /usr/local/bin/lynx. The browser will
be
+# /usr/bin/X11/open or /sw/bin/lynx. The browser will be
# started with the alias ccp4help and will open the file
# $CHTML/INDEX.html.
@@ -104,7 +104,7 @@
setenv CBIN $CCP4/bin
setenv CLIB $CCP4/lib
- setenv CCP4_BROWSER netscape
+ setenv CCP4_BROWSER open
if (${?MANPATH}) then
if ($ccp4_first_in_path) then
@@ -155,8 +155,8 @@
endif
### PLOT_COMMAND PRINT_COMMAND for the XCCPJIFFY programs to compile
###
-setenv PLOT_COMMAND 'lp -s -dmicrolaser'
-setenv PRINT_COMMAND 'lp -s -denscript'
+setenv PLOT_COMMAND 'lpr'
+setenv PRINT_COMMAND 'lpr'
# HARVESTHOME specifies location of harvesting files (defaults to
$HOME)
#setenv HARVESTHOME
@@ -178,51 +178,10 @@
#
# setenv BINSORT_MEM 8388608
-# LD_LIBRARY_PATH specifies where to find dynamic libraries (e.g.
libccp4.so)
-# at runtime
-if (${?LD_LIBRARY_PATH}) then
- if ($ccp4_first_in_path) then
- setenv LD_LIBRARY_PATH ${CLIB}:${LD_LIBRARY_PATH}
- else
- setenv LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:${CLIB}
- endif
-else
- setenv LD_LIBRARY_PATH ${CLIB}
-endif
-
-# DYLD_LIBRARY_PATH specifies where to find dynamic libraries (e.g.
libccp4.dylib)
-# at runtime (used on Mac OS X)
-if (${?DYLD_LIBRARY_PATH}) then
- if ($ccp4_first_in_path) then
- setenv DYLD_LIBRARY_PATH ${CLIB}:${DYLD_LIBRARY_PATH}
- else
- setenv DYLD_LIBRARY_PATH ${DYLD_LIBRARY_PATH}:${CLIB}
- endif
-else
- setenv DYLD_LIBRARY_PATH ${CLIB}
-endif
+# LD_LIBRARY_PATH and DYLD_LIBRARY_PATH unset per fink policy
-### XAPPLRESDIR ###
-# If you want to use xloggraph/xplot84driver, you need to get the
application
-# defaults picked up somehow. As distributed, the file can't just
live in an
-# application defaults directory since it requires reading by xrdb to
sort out
-# the differences for monochrome displays. At Daresbury a version of
the file
-# assuming a monochrome display is kept in the directory
-# $CCP4_LIB/X11/app-defaults and this is picked up through the
-# XUSERFILESEARCHPATH environment variable. That means you only see
black and
-# white on a colour display. Alternatively you might make sure that
it is
-# read by xrdb on startup of the X Windows system or delegate the
-# responsibility to users to run it. There are disadvantages to
putting an
-# invocation of xrdb in here, one being that the correct value of
DISPLAY may
-# not be set at the time this file is read. Thus edit this part as
-# appropriate. (SunOS will normally want to use /usr/openwin or
$OPENWINHOME
-# instead of /usr; others may want /usr/local/lib or somw such):
-if ($?XUSERFILESEARCHPATH) then
- setenv XUSERFILESEARCHPATH
$CCP4_LIB/X11/app-defaults/%N:$XUSERFILESEARCHPATH
-else
- setenv XUSERFILESEARCHPATH
$CCP4_LIB/X11/app-defaults/%N:/usr/lib/X11/app-defaults
-endif
+# XUSERFILESEARCHPATH environment variable set in wrapper shell
scripts.
### TRAPPFE ###
# TRAPFPE is set to ensure (in collaboration with -lfpe) an abort on
floating
@@ -274,8 +233,9 @@
# confusion with `.' or whatever in the path:
#
# This construct prevents the path getting longer each time
ccp4.setup is
-# executed (A. Perrakis)
-set ccp4pathlist = "${CCP4}/etc ${CBIN} ${CCP4I_TOP}/bin "
+# executed (A. Perrakis). This was done wrong in the original file.
+#
+set ccp4pathlist = "${CCP4}/etc:${CBIN}:${CCP4I_TOP}/bin"
#
foreach dir ( ${ccp4pathlist} )
if ( ${?PATH} ) then
diff -ruN ccp4-5.0.1-orig/include/ccp4.setup-sh
ccp4-5.0.1/include/ccp4.setup-sh
--- ccp4-5.0.1-orig/include/ccp4.setup-sh 2003-11-12
07:23:49.000000000 -0800
+++ ccp4-5.0.1/include/ccp4.setup-sh 2004-07-12 16:05:09.000000000
-0700
@@ -1,9 +1,8 @@
#! /bin/sh
# [The above is just for emacs -- this file should not be executed.]
-# CCP4 setup file for bash or ksh (untested) users. Actually, the
aliases
-# can't work asis in ksh. Should use builtins instead and not worry
about
-# ease of keeping in step with the csh one.
+# CCP4 setup file for OS X bash or zsh users.
+
# $Id: ccp4.setup-sh,v 1.3 2003/11/12 15:23:49 ccb Exp $
@@ -13,22 +12,15 @@
# name since no environment variables relevant to CCP4 are known
until this is
# executed.
-# For sites with more than one machine, it is recommended that the
suite is
-# installed on a single machine and other machines access the source
code, and
-# shareable files (such as this one) via shared file systems with
NFS, RFS
-# etc. Non-shareable files reside in $CBIN and $CLIB (see below).
-
-# Copy this file to ccp4.setup and customise it for your needs. There
are
-# three sections. You MUST check the first section. You may want to
check
-# the second. You don't need to look at the third.
+# This should be set up correctly for fink users of CCP4.
-################### THIS SECTION MUST BE EDITED #####################
+################### THIS SECTION has already been EDITED
#####################
# CCP4_MASTER is the location of the top-level directory containing
`ccp4'.
-# This is assumed to be shared between machines at a multi-machine
site.
+# This is usually /sw/share/xtal for a fink installation.
export CCP4_MASTER=/xtal
-export CCP4=$CCP4_MASTER/ccp4-5.0d
+export CCP4=$CCP4_MASTER/ccp4-5.0.1
# CCP4_SCR: a per-user directory for run-time-generated scratch
# files. A dedicated scratch filesystem is probably better than
(/usr)/tmp
@@ -46,7 +38,7 @@
export CCP4I_TOP=$CCP4/ccp4i
# CCP4I_TCLTK - directory containing tclsh,wish and bltwish
executables
# as used in $CCP4I_TOP/bin/ccp4i,ccp4ish,loggraph
-# For 'standard' installations this is /usr/local/bin
+# For 'standard' installations this is /sw/bin
# but note the SGI distributed version of Tcl/Tk is not
# appropriate version
export CCP4I_TCLTK=/sw/bin
@@ -81,7 +73,7 @@
# MCTYPE: used for LAUE make -- see LAUE documentation
# CCP4_BROWSER: set this if you intend to use the html documentation
# (recommended). It should have the path and name of a html
browser eg
-# /usr/bin/X11/netscape or /usr/local/bin/lynx. The browser will
be
+# /usr/bin/X11/netscape or /sw/bin/lynx. The browser will be
# started with the alias ccp4help and will open the file
# $CHTML/INDEX.html.
@@ -91,7 +83,7 @@
export CBIN=$CCP4/bin
export CLIB=$CCP4/lib
- export CCP4_BROWSER=safari
+ export CCP4_BROWSER=open
export MANPATH=$CCP4/man:$MANPATH # edit this if
necessary
export MCTYPE=unix # (only for Laue)
# ;;
@@ -110,8 +102,8 @@
export CLASSPATH=$CBIN:$CLASSPATH # edit this if
necessary
### PLOT_COMMAND PRINT_COMMAND for the XCCPJIFFY programs to compile
###
-export PLOT_COMMAND='lp -s'
-export PRINT_COMMAND='lp -s'
+export PLOT_COMMAND='lpr'
+export PRINT_COMMAND='lpr'
# HARVESTHOME specifies location of harvesting files (defaults to
$HOME)
export HARVESTHOME=$HOME
@@ -133,39 +125,11 @@
#
# export BINSORT_MEM=8388608
-# LD_LIBRARY_PATH specifies where to find dynamic libraries (e.g.
libccp4.so)
-# at runtime
-if test "LD_LIBRARY_PATH"; then
- export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$CLIB
-else
- export LD_LIBRARY_PATH=$CLIB
-fi
-# DYLD_LIBRARY_PATH specifies where to find dynamic libraries
-# (e.g. libccp4.dylib) at runtime
-if test "DYLD_LIBRARY_PATH"; then
- export DYLD_LIBRARY_PATH=$DYLD_LIBRARY_PATH:$CLIB
-else
- export DYLD_LIBRARY_PATH=$CLIB
-fi
+# Fink does not allow LD_LIBRARY_PATH or DYLD_LIBRARY_PATH to be set
### XAPPLRESDIR ###
-
-# If you want to use xloggraph/xplot84driver, you need to get the
application
-# defaults picked up somehow. As distributed, the file can't just
live in an
-# application defaults directory since it requires reading by xrdb to
sort out
-# the differences for monochrome displays. At Daresbury a version of
the file
-# assuming a monochrome display is kept in the directory
-# $CCP4_LIB/X11/app-defaults and this is picked up through the
-# XUSERFILESEARCHPATH environment variable. That means you only see
black and
-# white on a colour display. Alternatively you might make sure that
it is
-# read by xrdb on startup of the X Windows system or delegate the
-# responsibility to users to run it. There are disadvantages to
putting an
-# invocation of xrdb in here, one being that the correct value of
DISPLAY may
-# not be set at the time this file is read. Thus edit this part as
-# appropriate. (SunOS will normally want to use /usr/openwin or
$OPENWINHOME
-# instead of /usr; others may want /usr/local/lib or somw such):
-
-export XAPPLRESDIR=/sw/etc/app-defaults/
+# XUSERFILESEARCHPATH environment variable will be set in shell
script wrapper.
+
### TRAPPFE ###
# TRAPFPE is set to ensure (in collaboration with -lfpe) an abort on
floating
@@ -217,8 +181,10 @@
# confusion with `.' or whatever in the path:
#
# This construct prevents the path getting longer each time
ccp4.setup is
-# executed (A. Perrakis)
-ccp4pathlist="${CCP4}/etc ${CBIN} ${CCP4I_TOP}/bin "
+# executed (A. Perrakis) This was done wrong in the original file
and is not
+# needed for zsh users.
+#
+ccp4pathlist="${CCP4}/etc:${CBIN}:${CCP4I_TOP}/bin"
#
for dir in ${ccp4pathlist}
do
diff -ruN ccp4-5.0.1-orig/lib/src/cmaplib_f.c
ccp4-5.0.1/lib/src/cmaplib_f.c
--- ccp4-5.0.1-orig/lib/src/cmaplib_f.c 2004-03-10 09:22:52.000000000
-0800
+++ ccp4-5.0.1/lib/src/cmaplib_f.c 2004-07-23 14:43:28.000000000 -0700
@@ -76,6 +76,7 @@
#include"ccp4_fortran.h"
#include"ccp4_parser.h"
#include"csymlib.h"
+#include"ccp4_general.h"
static char rcsid[] = "$Id: cmaplib_f.c,v 1.16 2004/03/10 17:22:52
mdw Exp $";
static struct _IOConvMap *ioArray[MAXFILES];
@@ -1899,15 +1900,21 @@
(const fpstr label, int label_len))
{
char *temp_label;
- int nlabel,i;
+ int nlabel=0,i;
+
+ /* no output map, nothing to do */
+ if (last_Write == -1) return;
temp_label = ccp4_FtoCString(FTN_STR(label), FTN_LEN(label));
-
- nlabel = ccp4_cmap_number_label(ioArray[last_Read]->mapfile);
- for (i=0 ; i != nlabel ; ++i)
- ccp4_cmap_set_label(ioArray[last_Write]->mapfile,
+
+ if (last_Read != -1) {
+ nlabel = ccp4_cmap_number_label(ioArray[last_Read]->mapfile);
+ for (i=0 ; i != nlabel ; ++i)
+ ccp4_cmap_set_label(ioArray[last_Write]->mapfile,
ccp4_cmap_get_label(ioArray[last_Read]->mapfile,i),
i);
+ }
+
ccp4_cmap_set_label(ioArray[last_Write]->mapfile,
temp_label,nlabel);
free(temp_label);
@@ -1921,15 +1928,21 @@
/* see MTTCPY */
{
char *temp_label;
- int nlabel,i;
+ int nlabel=0,i;
+
+ /* no output map, nothing to do */
+ if (last_Write == -1) return;
temp_label = ccp4_FtoCString(FTN_STR(label), FTN_LEN(label));
- nlabel = ccp4_cmap_number_label(ioArray[last_Read]->mapfile);
- for (i=0 ; i != nlabel ; ++i)
- ccp4_cmap_set_label(ioArray[last_Write]->mapfile,
+ if (last_Read != -1) {
+ nlabel = ccp4_cmap_number_label(ioArray[last_Read]->mapfile);
+ for (i=0 ; i != nlabel ; ++i)
+ ccp4_cmap_set_label(ioArray[last_Write]->mapfile,
ccp4_cmap_get_label(ioArray[last_Read]->mapfile,i),
i);
+ }
+
ccp4_cmap_set_label(ioArray[last_Write]->mapfile,
temp_label,nlabel);
free(temp_label);
diff -ruN ccp4-5.0.1-orig/lib/src/cmtzlib.c
ccp4-5.0.1/lib/src/cmtzlib.c
--- ccp4-5.0.1-orig/lib/src/cmtzlib.c 2004-07-05 09:13:06.000000000
-0700
+++ ccp4-5.0.1/lib/src/cmtzlib.c 2004-07-27 12:58:17.000000000 -0700
@@ -55,7 +55,7 @@
#include "ccp4_parser.h"
#include "ccp4_vars.h"
#include "ccp4_errno.h"
-static char rcsid[] = "$Id: cmtzlib.c,v 1.74 2004/07/05 16:13:06 mdw
Exp $";
+static char rcsid[] = "$Id: cmtzlib.c,v 1.75 2004/07/27 12:10:12 mdw
Exp $";
/* stuff for error reporting */
#define CMTZ_ERRNO(n) (CCP4_ERR_MTZ | (n))
@@ -205,6 +205,8 @@
strcpy(crystal,"dummy");
ccp4_file_setmode(filein,0);
istat = ccp4_file_readchar(filein, (uint8 *) hdrrec,
MTZRECORDLENGTH);
+ if (debug)
+ printf(" Read first header record with istat = %d \n",istat);
/* We don't test all reads, but this one should trap for e.g.
truncated files */
if (istat == EOF) {
ccp4_signal(CCP4_ERRLEVEL(3) |
CMTZ_ERRNO(CMTZERR_ReadFail),"MtzGet",NULL);
@@ -681,6 +683,7 @@
for (j = 0; j < ntotcol; ++j)
colin[j]->ref[i] = refldata[j];
}
+ free(refldata);
/* Recalculate resolution limits */
@@ -1284,7 +1287,10 @@
/* If reflections not in memory, read next record from file. */
if (!mtz->refs_in_memory) {
refldata = (float *)
ccp4_utils_malloc(mtz->ncol_read*sizeof(float));
- if (MtzRrefl( mtz->filein, mtz->ncol_read, refldata) == EOF)
return 1;
+ if (MtzRrefl( mtz->filein, mtz->ncol_read, refldata) == EOF) {
+ free(refldata);
+ return 1;
+ }
}
/* Loop over all columns in the MTZ struct, and select those which
@@ -1324,6 +1330,7 @@
if (*resol > mtz->xtal[ixtal]->resmax) *resol =
mtz->xtal[ixtal]->resmax;
if (*resol < mtz->xtal[ixtal]->resmin) *resol =
mtz->xtal[ixtal]->resmin;
+ free(refldata);
return 0;
}
@@ -1345,7 +1352,10 @@
/* If reflections not in memory, read next record from file. */
if (!mtz->refs_in_memory) {
refldata = (float *)
ccp4_utils_malloc(mtz->ncol_read*sizeof(float));
- if (MtzRrefl( mtz->filein, mtz->ncol_read, refldata) == EOF)
return 1;
+ if (MtzRrefl( mtz->filein, mtz->ncol_read, refldata) == EOF) {
+ free(refldata);
+ return 1;
+ }
}
if (strncmp (mtz->mnf.amnf,"NAN",3) == 0) {
@@ -1403,6 +1413,7 @@
if (*resol > mtz->xtal[ixtal]->resmax) *resol =
mtz->xtal[ixtal]->resmax;
if (*resol < mtz->xtal[ixtal]->resmin) *resol =
mtz->xtal[ixtal]->resmin;
+ free(refldata);
return 0;
}
diff -ruN ccp4-5.0.1-orig/src/fft.f ccp4-5.0.1/src/fft.f
--- ccp4-5.0.1-orig/src/fft.f 2004-01-26 02:08:19.000000000 -0800
+++ ccp4-5.0.1/src/fft.f 2004-07-23 14:42:29.000000000 -0700
@@ -6235,7 +6235,7 @@
CALL MTZINI
CALL CCPOPN(5,'DATA',5,1,LDUM,IFAIL)
CALL CCPOPN(6,'PRINTER',6,1,LDUM,IFAIL)
- CALL CCPRCS(6,'FFT','$Date: 2004/01/26 10:08:19 $')
+ CALL CCPRCS(6,'FFT','$Date: 2004/07/19 11:11:31 $')
C ***********************************
C
C---- Read input including spacegroup number
@@ -9753,7 +9753,9 @@
C -- Not a patterson
IF (ISQ.GT.0) THEN
C These pattersons can be set. No others..
- IF(NLAFFT.EQ.4) NSPFFT = 10
+C fft10 has a bug - disable it altogether..
+C IF(NLAFFT.EQ.4) NSPFFT = 10
+ IF(NLAFFT.EQ.4) NSPFFT = 2
IF(NLAFFT.EQ.6) NSPFFT = 47
C -- Set to P1 (from P1bar) because permution of axes permitted
IF(NLAFFT.EQ.3) NSPFFT = 1
diff -ruN ccp4-5.0.1-orig/x-windows/XCCPJIFFY/plot84_file.h
ccp4-5.0.1/x-windows/XCCPJIFFY/plot84_file.h
--- ccp4-5.0.1-orig/x-windows/XCCPJIFFY/plot84_file.h 2004-06-03
08:27:20.000000000 -0700
+++ ccp4-5.0.1/x-windows/XCCPJIFFY/plot84_file.h 2004-07-12
16:11:20.000000000 -0700
@@ -28,7 +28,7 @@
float dvymin; /* device viewport Y min (mm) */
float dvymax; /* device viewport Y max (mm) */
int npics; /* number of pictures in this file */
- char paswrd [9]; /* password "PLOT%%84" */
+ char paswrd [8]; /* password "PLOT%%84" */
int spare [15]; /* spare bytes */
char titleh [80];/* plot title */
int lastspare [68]; /* filled to 512 bytes */
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