#!/usr/bin/env bash # ############################ # How to launch this installer # ############################ # 1. open a terminal window or command prompt # 2. change the current directory to where you downloaded this installer, for example 'cd /home/user/Downloads' # 3.1 launch the installer with 'bash ./install_secnet.bash' OR # OR # 3.2.1 give executable permission to the downloaded file with 'chmod u+ax ./install_secnet.bash' # 3.2.2 launch the installer with './install_secnet.bash' # ####### # Version # ####### # Installer of 'SecNet', template-free protein secondary structure prediction software InstallerVersion=1.0.18 # ######## # Platform # ######## # # Supported on Unix and Mac # ####### # License # ####### # SecNet, template-free protein secondary structure prediction software # Copyright (c) 2018-2019, Maxim Shapovalov (1,2), Roland L. Dunbrack, Jr. (1,^), Slobodan Vucetic (2,^) # All rights reserved. # # (1): Fox Chase Cancer Center, 333 Cottman Avenue, Philadelphia PA 19111, USA # (2): Temple University, 1801 N Broad Street, Philadelphia PA 19122, USA # (^): Corresponding Authors, roland dot dunbrack at fccc dot edu and vucetic at temple dot edu # # BSD 3-Clause License # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are met: # # * Redistributions of source code must retain the above copyright notice, this # list of conditions and the following disclaimer. # # * Redistributions in binary form must reproduce the above copyright notice, # this list of conditions and the following disclaimer in the documentation # and/or other materials provided with the distribution. # # * Neither the name of the copyright holder nor the names of its # contributors may be used to endorse or promote products derived from # this software without specific prior written permission. # # THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" # AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE # IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE # DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE # FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL # DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR # SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER # CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, # OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE # OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE echo "# " echo "# Welcome to Installer of 'SecNet', template-free protein secondary structure prediction software" echo "# (c) 2018-2019, Maxim Shapovalov, Roland L. Dunbrack, Jr., Slobodan Vucetic" echo "# Installer version $InstallerVersion" echo "# http:/dunbrack.fccc.edu/ss and https://github.com/sh-maxim/ss" echo "# " echo "" UNAME=$(uname) if [ "$UNAME" == "Linux" ] ; then OS_TYPE="unix" OS_TYPE_LONG="Unix" OS_EXAMPLE_INSTALL_DIR="/home/user/secnet" elif [ "$UNAME" == "Darwin" ] ; then OS_TYPE="mac" OS_TYPE_LONG="Mac OS" OS_EXAMPLE_INSTALL_DIR="/Users/user/secnet" elif [[ "$UNAME" == CYGWIN* || "$UNAME" == MINGW* ]] ; then OS_TYPE="win" OS_TYPE_LONG="Windows" OS_EXAMPLE_INSTALL_DIR="C:\\Users\\User\\secnet" echo "" echo "-----> ERROR: Windows is not supported yet" echo "Please use Unix or MacOS operating system." exit 1 fi echo "* detected operating system family is $OS_TYPE_LONG" SCRIPT="$(cd "$( dirname "$0" )" >/dev/null 2>&1 && pwd)/$(basename $0)" echo "* executing $SCRIPT" if true; then echo "" echo "1) The installation takes between 1 and 6 hours and greatly depends on Internet speed" echo "between you and our server. 95% of downloaded content is the required sequence databases" echo "against which the software was trained to guarantee the stated accuracy in our publication." echo "" echo "2) The installer will NOT disrupt your systemwide or user-specific Python or shell environment" echo "or alignment software; instead required Python and its libraries, all 3rd-party software and" echo "databases will be installed locally to the SecNet kit directory." echo "" echo "3) Uninstallation of SecNet kit is simple as running the command, 'rm -rf ./secnet_kit_directory'" echo "" read -p "--> Full installation path with write permission, such as $OS_EXAMPLE_INSTALL_DIR? " InstallDir fi echo "* installing SecNet kit to $InstallDir" echo "* installation started at `date`" mkdir $InstallDir if [ "$OS_TYPE" == "unix" ] ; then FREE=`df -BG --output=avail "$InstallDir" | tail -n1` FREE="${FREE%?}" elif [ "$OS_TYPE" == 'mac' ] ; then FREE=`df -Pg $InstallDir | sed 1d | grep -v used | awk '{ print $4 }'` fi echo "* free space of $FREE GB is detected" if [[ $FREE -lt 75 ]]; then echo "" echo "-----> ERROR: Not enough free disk space is detected." echo "SecNet kit requires at least 75 GB for installation, mostly for databases." echo "Please clean the disk and try again." exit 2 fi; sleep 5 InstallDir="$(cd $InstallDir > /dev/null 2>&1 && pwd)" InstallDir=${InstallDir%/} echo "* full path of SecNet kit is $InstallDir" cd $InstallDir mkdir "$InstallDir/download" if true; then echo "* 1 of 18: downloading secnet directory structure" sleep 5 URL_ROOT_DIR_TAR_GZ='http://dunbrack.fccc.edu/ss/downloads/secnet_root.tar.gz' LOCAL_ROOT_DIR_TAR_GZ='download/secnet_root.tar.gz' if [ "$OS_TYPE" == "unix" ] ; then wget $URL_ROOT_DIR_TAR_GZ -O $LOCAL_ROOT_DIR_TAR_GZ elif [ "$OS_TYPE" == 'mac' ] ; then curl $URL_ROOT_DIR_TAR_GZ -o $LOCAL_ROOT_DIR_TAR_GZ fi echo "* 2 of 18: extracting secnet directory structure" tar -xvzf $LOCAL_ROOT_DIR_TAR_GZ --directory $InstallDir rm $LOCAL_ROOT_DIR_TAR_GZ fi if true; then echo "* 3 of 18: downloading trained models" sleep 5 URL_MODELS_TAR_GZ='http://dunbrack.fccc.edu/ss/downloads/models.tar.gz' LOCAL_MODELS_TAR_GZ='download/models.tar.gz' if [ "$OS_TYPE" == "unix" ] ; then wget $URL_MODELS_TAR_GZ -O $LOCAL_MODELS_TAR_GZ elif [ "$OS_TYPE" == 'mac' ] ; then curl $URL_MODELS_TAR_GZ -o $LOCAL_MODELS_TAR_GZ fi echo "* 4 of 18: extracting trained models" tar -xvzf $LOCAL_MODELS_TAR_GZ --directory $InstallDir rm $LOCAL_MODELS_TAR_GZ fi if true; then echo "* 5 of 18: downloading third-party software" sleep 5 URL_3RD_SOFTWARE_TAR_GZ='http://dunbrack.fccc.edu/ss/downloads/3rd_software.tar.gz' LOCAL_3RD_SOFTWARE_TAR_GZ='download/3rd_software.tar.gz' if [ "$OS_TYPE" == "unix" ] ; then wget $URL_3RD_SOFTWARE_TAR_GZ -O $LOCAL_3RD_SOFTWARE_TAR_GZ elif [ "$OS_TYPE" == 'mac' ] ; then curl $URL_3RD_SOFTWARE_TAR_GZ -o $LOCAL_3RD_SOFTWARE_TAR_GZ fi echo "* 6 of 18: extracting third-party software" tar -xvzf $LOCAL_3RD_SOFTWARE_TAR_GZ --directory $InstallDir rm $LOCAL_3RD_SOFTWARE_TAR_GZ fi if true; then echo "* 7 of 18: downloading Anaconda3 of version 4.2.0 with Python 3.5.2" sleep 5 if [ "$OS_TYPE" == "unix" ] ; then URL_ANACONDA3="https://repo.anaconda.com/archive/Anaconda3-4.2.0-Linux-x86_64.sh" ANACONDA_LOCAL_FILENAME="download/Anaconda3-4.2.0-Linux-x86_64.sh" elif [ "$OS_TYPE" == 'mac' ] ; then URL_ANACONDA3="https://repo.anaconda.com/archive/Anaconda3-4.2.0-MacOSX-x86_64.sh" ANACONDA_LOCAL_FILENAME="download/Anaconda3-4.2.0-MacOSX-x86_64.sh" fi if [ "$OS_TYPE" == "unix" ] ; then wget $URL_ANACONDA3 -O $ANACONDA_LOCAL_FILENAME elif [ "$OS_TYPE" == 'mac' ] ; then curl $URL_ANACONDA3 -o $ANACONDA_LOCAL_FILENAME fi ANACONDA3_DIR="$InstallDir/anaconda3" echo "* 8 of 18: installing Anaconda3 of version 4.2.0 with Python 3.5.2 as standalone to the local SecNet kit directory, to $ANACONDA3_DIR" bash $ANACONDA_LOCAL_FILENAME -b -p $ANACONDA3_DIR rm $ANACONDA_LOCAL_FILENAME fi if true; then echo "* 9 of 18: downloading current execution code" sleep 5 URL_CODE_TAR_GZ='http://dunbrack.fccc.edu/ss/downloads/source.tar.gz' LOCAL_CODE_TAR_GZ='download/source.tar.gz' if [ "$OS_TYPE" == "unix" ] ; then wget $URL_CODE_TAR_GZ -O $LOCAL_CODE_TAR_GZ elif [ "$OS_TYPE" == 'mac' ] ; then curl $URL_CODE_TAR_GZ -o $LOCAL_CODE_TAR_GZ fi echo "* 10 of 18: exctacting current execution code" tar -xvzf $LOCAL_CODE_TAR_GZ --directory $InstallDir rm $LOCAL_CODE_TAR_GZ fi if true; then echo "* 11 of 18: configuring local paths in downloaded execution code" sleep 5 echo "#!$InstallDir/nnpython3" > ./bin/template/template.nnpython3.shebang cat ./bin/template/template.nnpython3.shebang ./bin/template/template.configure_secnet.py3 > ./bin/configure_secnet.py3 chmod a+x ./bin/configure_secnet.py3 cat ./bin/template/template.nnpython3.shebang ./bin/template/template.secnet.py3 > secnet.py3 chmod a+x secnet.py3 cat ./bin/template/template.nnpython3.shebang ./bin/template/template.run_psiblast.py3 > ./bin/run_psiblast.py3 chmod a+x ./bin/run_psiblast.py3 cat ./bin/template/template.nnpython3.shebang ./bin/template/template.run_hmm.py3 > ./bin/run_hmm.py3 chmod a+x ./bin/run_hmm.py3 cat ./bin/template/template.nnpython3.shebang ./bin/template/template.ss_nn_load_and_predict.py3 > ./bin/ss_nn_load_and_predict.py3 chmod a+x ./bin/ss_nn_load_and_predict.py3 fi if true; then echo "* 12 of 18: executing configuration and installation of required libraries in Python3 installed locally in the SecNet kit directory, $ANACONDA3_DIR" sleep 5 ln -s "$ANACONDA3_DIR/bin/python3" ./nnpython3 ./nnpython3 ./bin/configure_secnet.py3 fi if true; then echo "* 13 of 18: downloading hmm database #1 of 2" sleep 5 URL_NR70_TAR_GZ='http://dunbrack.fccc.edu/ss/databases/nr70.tar.gz' LOCAL_NR70_TAR_GZ='download/nr70.tar.gz' if [ "$OS_TYPE" == "unix" ] ; then wget $URL_NR70_TAR_GZ -O $LOCAL_NR70_TAR_GZ elif [ "$OS_TYPE" == 'mac' ] ; then curl $URL_NR70_TAR_GZ -o $LOCAL_NR70_TAR_GZ fi echo "* 14 of 18: extracting hmm database #1 of 2" tar -xvzf $LOCAL_NR70_TAR_GZ --directory $InstallDir/3rd_databases/hmm rm $LOCAL_NR70_TAR_GZ fi if true; then echo "* 15 of 18: downloading hmm database #2 of 2" sleep 5 URL_NR90_TAR_GZ='http://dunbrack.fccc.edu/ss/databases/nr90.tar.gz' LOCAL_NR90_TAR_GZ='download/nr90.tar.gz' if [ "$OS_TYPE" == "unix" ] ; then wget $URL_NR90_TAR_GZ -O $LOCAL_NR90_TAR_GZ elif [ "$OS_TYPE" == 'mac' ] ; then curl $URL_NR90_TAR_GZ -o $LOCAL_NR90_TAR_GZ fi echo "* 16 of 18: extracting hmm database #2 of 2" tar -xvzf $LOCAL_NR90_TAR_GZ --directory $InstallDir/3rd_databases/hmm rm $LOCAL_NR90_TAR_GZ fi if true; then echo "* 17 of 18: downloading psiblast database" sleep 5 URL_BLAST_TAR_GZ='http://dunbrack.fccc.edu/ss/databases/uniref90.tar.gz' LOCAL_BLAST_TAR_GZ='download/uniref90.tar.gz' if [ "$OS_TYPE" == "unix" ] ; then wget $URL_BLAST_TAR_GZ -O $LOCAL_BLAST_TAR_GZ elif [ "$OS_TYPE" == 'mac' ] ; then curl $URL_BLAST_TAR_GZ -o $LOCAL_BLAST_TAR_GZ fi echo "* 18 of 18: extracting psiblast database" tar -xvzf $LOCAL_BLAST_TAR_GZ --directory $InstallDir/3rd_databases/blast rm $LOCAL_BLAST_TAR_GZ fi echo "* installation ended at `date`" echo "* installation of SecNet is complete"