FoldX-5.0_install

#!/usr/bin/env bash

###############################################
# Installing FoldX 5.0 as a reserved application.
# 
# by Brian Alston March 2022
#
# Updated for version 5.0 late March 2022
# updated Mach 2024 for different directory layout in ccspap2


# Install archive downloaded from:
# https://foldxsuite.crg.eu/ license portal and copied to:
#
#     ~ccspap2/Software/FoldX
#
# on Myriad only.

NAME=${NAME:-FoldX}
VERSION=${VERSION:-v5.0}
INSTALL_PREFIX=${INSTALL_PREFIX:-/shared/ucl/apps/$NAME/$VERSION}
SRC_ARCHIVE=${SRC_ARCHIVE:-/home/ccspap2/Software/FoldX/5.0/foldx5Linux64.zip}
APP_GROUP=${APP_GROUP:-legfldx}

set -e

if [ ! -f $SRC_ARCHIVE ]
then
    echo ""
    echo "*** ERROR: Cannot find FoldX installer archive"
    echo ""
    echo "You need to download the FoldX installer archive from:"
    echo "https://foldxsuite.crg.eu/ license portal -"
    echo "Place it somewhere in your file-system and set the SRC_ARCHIVE" 
    echo "variable appropriately."
    echo ""
    exit 1
fi

# Check we are using the correct userid

if [ "$USER" != "ccspap2" ]
then
    echo ""
    echo "*** ERROR: must install using the ccspap2 account."
    echo ""
    exit 1
fi
  
# Binary install

mkdir -p $INSTALL_PREFIX
cd $INSTALL_PREFIX
/bin/rm -rf *
unzip -x $SRC_ARCHIVE

# The binary incudes the license expiry date in the name. Set up a link to keep the same name as
# before.

binary=`ls foldx*`
ln -s $binary foldx

# Convert to reserved app.

cd ..
chgrp -R $APP_GROUP `basename $INSTALL_PREFIX`
chmod -R o-rwx `basename $INSTALL_PREFIX`
cd $INSTALL_PREFIX
chmod ug+rx $binary
ls -l