# This is CCP4 setup file for users of bash, zsh 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

# To remove previously added CCP4 directories from the PATH, uncomment:
#[ -n "$CCP4" ] && PATH="$(echo "$PATH" | sed "s,${CCP4}[^:]*:,,g")"

################### MOST-OFTEN CUSTOMIZED VARIABLES #####################

# CCP4_MASTER is the location of the top-level directory containing ccp4-N.N.
export CCP4_MASTER=/cvmfs/facilities.gridpp.ac.uk/ccp4/devel/Version5
export CCP4=$CCP4_MASTER/ccp4-7.0

# CCP4_SCR: a per-user directory for run-time-generated scratch files.
export CCP4_SCR="/tmp/`whoami | tr ' \\\\' _`"

# 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

# BALBES pipeline with large database
test -d $CCP4_MASTER/BALBES && export BALBES_ROOT=$CCP4_MASTER/BALBES

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


######################### ALL THE REST ###########################

# 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
# CLIBD: platform-independent data files
export CLIBD=$CCP4/lib/data
# CETC: executable scripts (NOT configuration files)
export CETC=$CCP4/etc
# CINCL: headers and two *.def files for handling "logical names" in CCP4
export CINCL=$CCP4/include
# CHTML: html documentation
export CHTML=$CCP4/html
# CEXAM: examples and some tests
export CEXAM=$CCP4/examples
# source code directories
#export CLIBS=$CCP4/lib/libccp4
#export CPROG=$CCP4/src
# CCP4I_TOP: the top directory of the interface
export CCP4I_TOP=$CCP4/share/ccp4i
# MMCIFDIC: platform-dependent (not in $CLIBD) data file for the ccif library
export MMCIFDIC=$CLIB/ccp4/cif_mmdic.lib
# CRANK: location of Crank automation suite within ccp4i
export CRANK=$CCP4I_TOP/crank
# CLIBD_MON: dictionary files for REFMAC5 (keep trailing /)
export CLIBD_MON=$CCP4/lib/data/monomers/
# CCP4_HELPDIR: location of the VMS-style help file used by (ip)mosflm
export CCP4_HELPDIR=$CCP4/help/            # NB trailing /

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

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

# 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

PATH=$CCP4/etc:$CCP4/bin:$PATH

if [ -n "$MANPATH" ]; then
  export MANPATH=$CCP4/share/man:$MANPATH
fi

# clean up - just in case older version of CCP4 is sourced
unset DBCCP4I_TOP

# traditional aliases
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'