# This is CCP4 setup file for users of bash and similar shells.
# The include/ccp4.setup-sh.in file is a template used to generate
# the bin/ccp4.setup-sh file.  Source the latter to use CCP4.
# You may add it to one of your shell startup files, such as ~/.bashrc:
# . /full/path/to/ccp4/ccp4-version/bin/ccp4.setup-sh

################### THIS SECTION MUST BE EDITED #####################

# CCP4_MASTER is the location of the top-level directory containing ccp4-N.N.N.
export CCP4_MASTER=/xtal
export CCP4=$CCP4_MASTER/ccp4-6.4.0

# CCP4_SCR: a per-user directory for run-time-generated scratch files.
export CCP4_SCR=/tmp/$USER

# CCP4I_TCLTK - directory containing tclsh, wish and bltwish executables
#               for ccp4i. The CCP4 suite is distributed with Tcl/Tk 8.4.
export CCP4I_TCLTK=$CCP4/bin

### Optional - setting http proxy
#export HTTP_PROXY wwwblah.blah.ac.uk:xxxx/blah.blah


################### OPTIONS TO CUSTOMISE CCP4 #####################

# ccp4_first_in_path=1 - prepend CCP4 directories to system PATH
# ccp4_first_in_path=0 - append CCP4 directories to system PATH
# Important only if non-CCP4 programs have the same names as CCP4 programs.
ccp4_first_in_path=1

# This variable is set to ensure that the logfile output from programs
# compiled with Gfortran is in the correct order.
export GFORTRAN_UNBUFFERED_PRECONNECTED=Y


# CBIN: location of the executables -- must be on your path (see below)
export CBIN=$CCP4/bin
# CLIB: location of (binary) library files such as libccp4.a and libccp4.so
export CLIB=$CCP4/lib
# CCP4I_TOP: the top directory of the interface
export CCP4I_TOP=$CCP4/share/ccp4i

if test ! -d $CCP4; then
    echo "WARNING: The directory $CCP4"
    echo 'WARNING: (assigned to $CCP4) does not exist.'
    echo "WARNING: The CCP4 programs will not run correctly."
fi

# check to see if $CCP4_SCR exists and if not try to make it
test -d $CCP4_SCR || mkdir $CCP4_SCR
test -d $CCP4_SCR || echo "Unable to assign CCP4_SCR. This will cause probs."

# HARVESTHOME specifies location of harvesting files (defaults to $HOME)
#export HARVESTHOME=$HOME

# CCP4_OPEN is set to 'UNKNOWN' by default. When set to 'NEW' traditional
# CCP4 programs treat over-writing of existing files as a fatal error.
export CCP4_OPEN=UNKNOWN

# Location of resources for xloggraph and xplot84driver.
if test -d $CLIB/X11/app-defaults ; then
  if test "$XUSERFILESEARCHPATH"; then
    export XUSERFILESEARCHPATH=$CLIB/X11/app-defaults/%N:$XUSERFILESEARCHPATH
  else
    export XUSERFILESEARCHPATH=$CLIB/X11/app-defaults/%N:/usr/lib/X11/app-defaults
  fi
fi


################### THE REST SHOULDN'T NEED EDITING #####################

### dbCCP4i database handler setup ###

export DBCCP4I_TOP=${CCP4}/share/dbccp4i

### MOSFLM_WISH: if not set, ${CCP4I_TCLTK}/wish is used
#export MOSFLM_WISH=${CCP4I_TCLTK}/wish
export MOSFLM_EXEC=ipmosflm

### 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

export MMCIFDIC=$CLIB/ccp4/cif_mmdic.lib

### CRANK points to location of Crank automation suite within ccp4i

export CRANK=$CCP4I_TOP/crank

### XIA2 setup
if test -e $CCP4/share/xia2/setup.sh; then
  export XIA2_ROOT=$CCP4/share/xia2
  . $CCP4/share/xia2/setup.sh
fi

### 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 /

export CLIBD_MON=$CCP4/lib/data/monomers/

### CCP4_HELPDIR: location of VMS-style help file used by (ip)mosflm:
export CCP4_HELPDIR=$CCP4/help/            # NB trailing /

# 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.
# This construct prevents the path getting longer each time ccp4.setup is run.
for dir in ${CCP4}/etc ${CBIN} ${CCP4I_TOP}/bin ${DBCCP4I_TOP}/bin
do
  if [ `expr ":${PATH}:" : ".*:${dir}:"` -eq 0 ]; then
    if test $ccp4_first_in_path -eq 1; then
      PATH=${dir}:${PATH}
    else
      PATH=${PATH}:${dir}
    fi
  fi
done

# Optional (useful) additional environment variables
export CHTML=$CCP4/html
export CETC=$CCP4/etc
export CEXAM=$CCP4/examples
export CINCL=$CCP4/include
export CLIBD=$CCP4/lib/data
#export CLIBS=$CCP4/lib/libccp4
#export CPROG=$CCP4/src

# 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 chtml='pushd $CHTML>/dev/null'

### Settings for the Laue software suite (not distributed now)
#if test -d $CCP4_MASTER/laue ; then
#  export MCTYPE=unix
#  alias laue='$CCP4_MASTER/laue/cmd/laue.cmd'
#  alias lget='$CCP4_MASTER/laue/cmd/lget.cmd'
#  alias linkimages='$CCP4_MASTER/laue/cmd/linkimages.cmd'
#fi

# Set-up cctbx environment
test -r $CCP4/lib/cctbx/cctbx_build/setpaths.sh && . $CCP4/lib/cctbx/cctbx_build/setpaths.sh

# BALBES root configuration
if test -d $CCP4/share/BALBES/Package; then
  export BALBES_ROOT=$CCP4/share/BALBES/Package
fi

# Test for ARP/wARP 7.4 and source
if test -f ${CCP4}/bin/arpwarp.source-sh; then
   . ${CCP4}/bin/arpwarp.source-sh
fi

unset ccp4_first_in_path