#! /bin/bash

#########################################################################################################################
## Name of this file. fn must be in the same name as this file, without the .ii.txt suffix.
fn=qe-6.1
#########################################################################################################################


#########################################################################################################################
## A. Initialisation
#########################################################################################################################
dir=$HOME/ii
export dir=$dir

## mkdir ##
if [ ! -d $dir ];then
mkdir $dir
else
echo $dir existed. Not making one.
fi
if [ ! -d $dir/script ];then
mkdir $dir/script
else
echo $dir/script existed. Not making one.
fi
if [ ! -d $dir/include ];then
mkdir $dir/include
else
echo $dir/include existed. Not making one.
fi
if [ ! -d $dir/lib ];then
mkdir $dir/lib
else
echo $dir/lib existed. Not making one.
fi
if [ ! -d $dir/configrepo ];then
mkdir $dir/configrepo
else
echo $dir/configrepo existed. Not making one.
fi
if [ ! -d $dir/bin ];then
mkdir $dir/bin
else
echo $dir/bin existed. Not making one.
fi

rm -rf $dir/script/$fn.lib
rm -rf $dir/script/"$fn"var.txt
rm -rf $dir/script/"$fn".log

echo 'export LD_LIBRARY_PATH='$dir/lib':$LD_LIBRARY_PATH' >> $dir/script/"$fn"var.txt
echo 'export PATH='$dir/bin':$PATH' >> $dir/script/"$fn"var.txt
echo ' '
#########################################################################################################################
## End of A. Initialisation
#########################################################################################################################


#########################################################################################################################
## B. Check system prerequisites
#########################################################################################################################
declare -a ps=(make gcc g++ gfortran)
for i in ${ps[@]}; do
	str=$(which $i)
	if [ ! "$str" ];then
		echo $i NOT found. Please install $i manually as root or sudo, then retry running this script. >> $dir/script/$fn.log
	else 
		echo $i found. >> $dir/script/$fn.log
	fi
done

if grep -q 'NOT' "$dir/script/$fn.log";
then
	echo 'System prerequisites NOT met. To abort.' >> $dir/script/$fn.log
	cat $dir/script/$fn.log
	exit
else
    echo 'System prerequisites met. To continue.' >> $dir/script/$fn.log
#	cat $dir/script/$fn.log
fi
echo ' '
#########################################################################################################################
## End of B. Check system prerequisites
#########################################################################################################################


#########################################################################################################################
## C. Check and install prerequisite libraries if not existed
#########################################################################################################################

## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##
## 1. openmpi-2.1.1
####
libname2install=openmpi-2.1.1
libfile2check=libmpi.so
####
checklib=$dir/$libname2install/lib/$libfile2check
echo $checklib >> $dir/script/$fn.lib
if [ -f $checklib ];then
	echo $checklib found. Not to install them.
else
	echo $checklib NOT found. To install them.
	echo To install $checklib >> $dir/script/$fn.log
	cd $dir/configrepo
	rm -rf $libname2install.tgz
	wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/openmpi/openmpi-2.1.1.tgz
	tar -zxvf $libname2install.tgz
	cd $libname2install
	./configure --prefix=$dir/$libname2install --disable-dlopen
	make 
	make install 
fi
echo 'export LD_LIBRARY_PATH='$dir/$libname2install/lib':$LD_LIBRARY_PATH' >> $dir/script/"$fn"var.txt
echo 'export PATH='$dir/$libname2install/bin':$PATH' >> $dir/script/"$fn"var.txt
source $dir/script/"$fn"var.txt
## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##

## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##
## 2. fftw-3.3.6
####
libname2install=fftw-3.3.6
libfile2check=libfftw3.a
####
checklib=$dir/$libname2install/lib/$libfile2check
echo $checklib >> $dir/script/$fn.lib
if [ -f $checklib ];then
	echo $checklib found. Not to install them.
else
	echo $checklib NOT found. To install them.
	echo To install $checklib >> $dir/script/$fn.log
	cd $dir/configrepo
	rm -rf $libname2install.tgz
	wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/fftw/fftw-3.3.6.tgz
	tar -zxvf fftw-3.3.6.tgz
	cd fftw-3.3.6-pl2
	./configure --prefix=$dir/$libname2install --with-g77-wrappers --enable-mpi --enable-threads --enable-openmp CC="cc" FC="mpif90" 
	make -j 4
	make install
#	make check  # optional 
	#make installcheck # optional 
fi
echo 'export LD_LIBRARY_PATH='$dir/$libname2install/lib':$LD_LIBRARY_PATH' >> $dir/script/"$fn"var.txt
echo 'export PATH='$dir/$libname2install/bin':$PATH' >> $dir/script/"$fn"var.txt
source $dir/script/"$fn"var.txt
## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##

## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##
## 3. blas-3.7.0
####
libname2install=blas-3.7.0
libfile2check=libblas.a
####
checklib=$dir/lib/$libfile2check
echo $checklib >> $dir/script/$fn.lib
if [ -f $checklib ];then
	echo $checklib found. Not to install them.
else
	echo $checklib NOT found. To install them.
	echo To install $checklib >> $dir/script/$fn.log
	cd $dir/configrepo
	rm -rf $libname2install.tgz
	wget http://www.netlib.org/blas/blas-3.7.0.tgz
	tar -xzvf $libname2install.tgz
	cd BLAS-3.7.0
	gfortran -c -O3 *.f  
	ar rv libblas.a *.o
	cp $dir/configrepo/BLAS-3.7.0/libblas.a $dir/lib/
fi
source $dir/script/"$fn"var.txt
## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##

## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##
## 4. lapack-3.7.0
####                          
libname2install=lapack-3.7.0
libfile2check=liblapack.a
####
checklib=$dir/lib/$libfile2check
echo $checklib >> $dir/script/$fn.lib
if [ -f $checklib ];then
	echo $checklib found. Not to install them.
else
	echo $checklib NOT found. To install them.
	echo To install $checklib >> $dir/script/$fn.log
	cd $dir/configrepo
	rm -rf $libname2install.tgz
	wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/BLAS_and_LAPACK/lapack-3.7.0.tgz 
	tar -xzvf $libname2install.tgz
	cd $libname2install
	which g77 || sed -i -e 's/g77/gfortran/' make.inc 
	ulimit -s unlimited
	make tmglib blaslib cblaslib lapack_install lapacklib -j 4 
	#make lapack_testing  ## optional
	## cd TESTING; make  ### execute this line if want to perform testing on the lapack library installed.
	cp $dir/configrepo/lapack-3.7.0/*.a $dir/lib/
fi
source $dir/script/"$fn"var.txt
## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##


## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##
## 5. python-2.7.13
####
libname2install=python-2.7.13
libfile2check=libpython2.7.a
####
checklib=$dir/$libname2install/lib/$libfile2check
echo $checklib >> $dir/script/$fn.lib
if [ -f $checklib ];then
	echo $checklib found. Not to install them.
else
	echo $checklib NOT found. To install them.
	echo To install $checklib >> $dir/script/$fn.log
	cd $dir/configrepo
	rm -rf Python-2.7.13.tgz
	wget http://www.python.org/ftp/python/2.7.13/Python-2.7.13.tgz
	tar -zxvf Python-2.7.13.tgz
	find $dir/configrepo -type d | xargs chmod 0755
	cd Python-2.7.13
	./configure --prefix=$dir/python-2.7.13
	make
	make install
fi
echo 'export LD_LIBRARY_PATH='$dir/$libname2install/lib':$LD_LIBRARY_PATH' >> $dir/script/"$fn"var.txt
echo 'export PATH='$dir/$libname2install/bin':$PATH' >> $dir/script/"$fn"var.txt
source $dir/script/"$fn"var.txt
## &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& ##


#########################################################################################################################
## End of C. Check and install prerequisite libraries if not existed
#########################################################################################################################

#########################################################################################################################
#### D. Determine whether any 'NOT' keyword appears in $dir/script/$fn.log ##########
#########################################################################################################################
## echo $dir/ii/lib/gnuplot.a >> $dir/script/$fn.lib  ## for trouble shooting

for i in $(cat $dir/script/$fn.lib)
do
if [ -f $i ]; then
	echo $i found >> $dir/script/$fn.log
	else
	echo $i NOT found >> $dir/script/$fn.log
fi
done
echo ' '
#########################################################################################################################
#### D. Determine whether any 'NOT' keyword appears in  $dir/script/$fn.log ##########
#########################################################################################################################


#########################################################################################################################
## E. Install $fn
#########################################################################################################################
if grep -q 'NOT' "$dir/script/$fn.log";
then
	echo 'NOT all prerequisite libraries are found for' $fn. To abort installation. >> $dir/script/$fn.log
	cat $dir/script/$fn.log
	exit
else
	echo 'All prerequisite libraries are found for' $fn. To continue installation. >> $dir/script/$fn.log
	
# &&&&&&&&&&& Add a line of 'source '$dir/script/"$fn"var.txt in $HOME/.bashrc for $USER &&&&&&&&&&&&&& #
	if grep -q 'source '$dir/script/"$fn"var.txt "$HOME/.bashrc"; 
	then
		echo 'source '$dir/script/"$fn"var.txt already added to $HOME/.bashrc >> $dir/script/$fn.log
		echo 'source '$dir/script/"$fn"var.txt already added to $HOME/.bashrc 
	else
		echo source $dir/script/"$fn"var.txt has not been added to $HOME/.bashrc. To add it now. >> $dir/script/$fn.log
		echo source $dir/script/"$fn"var.txt has not been added to $HOME/.bashrc. To add it now. 
		echo '## Line added by ii ' >> $HOME/.bashrc
		echo 'source '$dir/script/"$fn"var.txt >> $HOME/.bashrc
	fi
# &&&&&&&&&&& end of Add a line of 'source '$dir/script/"$fn"var.txt in $HOME/.bashrc for $USER &&&&&&&&&&&&&& #

	
#****************** begin installation of fn ****************************************************************************
	## requires libgtk-3-dev
	## sudo apt-get install libgtk-3-dev
	cd $dir/configrepo
	if [ -f "$fn".tgz ];then
		filesize=$(ls -la "$fn".tgz | awk '{print $5}')
		if [ $filesize == 186159207 ]; then   #### provide the original file size of $fn.tgz 
			echo "$fn".tgz is present and file size tallies in $dir/configrepo. Proceed without downloading. >> $dir/script/$fn.log
			cat $dir/script/$fn.log
		else
			echo "$fn".tgz is present but file size fails to tally in $dir/configrepo. Proceed with downloading. >> $dir/script/$fn.log
			cat $dir/script/$fn.log
			rm -rf "$fn".tgz
			wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/qe/qe-6.1.tgz
		fi
	else
		echo "$fn".tgz is absent in $dir/configrepo. Proceed with downloading. >> $dir/script/$fn.log
		cat $dir/script/$fn.log
		rm -rf "$fn".tgz
		wget http://comsics.usm.my/tlyoon/configrepo/howto/customise_centos/qe/qe-6.1.tgz
	fi
		
	cd $dir/configrepo
	rm -rf "$fn"
	tar -zxvf "$fn".tgz
	cd "$fn"
	pwd=$(echo $PWD)

	./configure  --prefix=$HOME/ii/$fn F90="gfortran" CC="$HOME/ii/openmpi-2.1.1/bin/mpicc" IFLAGS="-I$HOME/ii/fftw-3.3.6/include -I$HOME/ii/configrepo/qe-6.1/include -I../include" 
	# -I$HOME/ii/configrepo/qe-6.1/include
	#-I../include/
	
	#	./configure  --prefix=$HOME/ii/$fn F77="$HOME/ii/openmpi-2.1.1/bin/mpif77" MPIF90="$HOME/ii/openmpi-2.1.1/bin/mpif90" --enable-openmp=yes #--enable-parallel=yes FFT_LIBS="-L$HOME/ii/fftw-3.3.6 -lfftw3" MPI_LIBS="-L$HOME/ii/openmpi-2.1.1/lib -lmpi" #IFLAGS="-I$HOME/ii/fftw-3.3.6/include -I$HOME/ii/openmpi-2.1.1/include -I$HOME/ii/configrepo/qe-6.1/include #-I$HOME/ii/configrepo/qe-6.1/install" LAPACK_LIBS="-L$HOME/ii/lib -llapack" BLAS_LIBS="-L$HOME/ii/lib -lblas" #CC="$HOME/ii/openmpi-2.1.1/bin/mpicc"
	#  F90="$HOME/ii/openmpi-2.1.1/bin/mpif90"
		
	make -j 4 pw > $dir/script/make_pw.log
	make -j 4 ph > $dir/script/make_ph.log
	make -j 4 pwcond > $dir/script/make_pwcond.log
	make -j 4 neb > $dir/script/make_neb.log
	make -j 4 pp > $dir/script/make_pp.log  
##	make -j 4 pwall > $dir/script/make_pwall.log  ## make pwall={pw,ph,pwcond,neb,pp}
	make -j 4 cp > $dir/script/make_cp.log
	make -j 4 tddfpt > $dir/script/make_tddfpt.log 	
	make -j 4 gwl > $dir/script/make_gwl.log; cd GWW; make -j 4 > $dir/script/make_gwl.log; cd ../
	make -j 4 ld1 > $dir/script/make_ld1.log
	make -j 4 upf > $dir/script/make_upf.log
#	make -j 4 all > $dir/script/make_all.log ## same as "make pwall cp ld1 upf tddfpt"
	make -j 4 xspectra > $dir/script/make_xspectra.log
	make -j 4 couple > $dir/script/make_couple.log

	tar -zxvf archive/wannier90-2.1.0.tar.gz
	make -j 4 epw > $dir/script/make_epw.log 
##	make -j 4 w90 > $dir/script/make_w90.log ### do not need to make w90 as it will be made along with epw

	export F90="gfortran"; make -j 4 yambo; cd yambo-stable; make clean; ./configure; make -j 4 all; cd ../; make -j 4 yambo; cd yambo-stable; make -j 4 all > $dir/script/make_yambo.log; cd ../ 

	make -j 4 gipaw > $dir/script/make_gipaw.log; cd qe-gipaw-6.1; ./configure; make > $dir/script/make_gipaw.log; cd ../
	make -j 4 west > $dir/script/make_west.log 
	
	make -j 4 want > $dir/script/make_want.log; cd WANT; ./configure; make all > $dir/script/make_want.log; cd ../ 
	## /want/src/tools/decay.x failed to compile, but the rest are OK.

## repeat for gipaw, yambo, want to ensure they are installed properly
	make -j 4 gipaw > $dir/script/make_gipaw.log; cd qe-gipaw-6.1; ./configure; make > $dir/script/make_gipaw.log; cd ../
	make -j 4 want > $dir/script/make_want.log; cd WANT; ./configure; make all > $dir/script/make_want.log; cd ../ 
	## /want/src/tools/decay.x failed to compile, but the rest are OK.
##	export F90="gfortran"; cd yambo-stable; ./configure; make -j 4 all > $dir/script/make_yambo.log; cd ../
## end of repeat for gipaw, yambo, want to ensure they are installed properly
	
	make gui > $dir/script/make_gui.log       
	make examples > $dir/script/make_examples.log
	make doc > $dir/script/make_doc.log
	make links > $dir/script/make_link.log   ### kept until the last
	
#	cd yambo-stable; make clean; ./configure; cd ../; export F90="gfortran"; make yambo; cd yambo-stable; make -j 4 all > $dir/script/make_yambo.log
	make links > $dir/script/make_link.log   ### kept until the last
	
	##  NOT TO INSTALL yambo-devel
	##	export F90="gfortran"; make -j 4 yambo-devel > $dir/script/make_yambo-devel.log ## fail to install	
	##	cd yambo-devel; ./configure; make -j 4 all >> $dir/script/make_yambo-devel.log
	##	cd ../

	##  NOT TO INSTALL d3q. It fails due to d3matrix_io.f90.	
	#	make -j 4 d3q > $dir/script/make_d3q.log; cd d3q-1.1-qe6.1; make -j 4 > $dir/script/make_d3q.log 		### partially installed; partially failed.

	##  NOT TO INSTALL plumed. It spoils subsequent installations.	
	##	make -j 4 plumed > $dir/script/make_plumed.log     							### Failed miserably

	make install
#	echo 'hello'
#	make install
	
	if [ -f $dir/$fn/bin/sax2qexml.x ];then
		rm -rf $dir/bin/*.x
		ln -s $dir/$fn/bin/* $dir/bin/
		echo $dir/$fn/bin/sax2qexml.x found. intstant installation for $fn completed. >> $dir/script/$fn.log
	else
		echo $dir/$fn/bin/sax2qexml.x not found. intstant installation for $fn failed. >> $dir/script/$fn.log	
	fi
#****************** end installation of fn ****************************************************************************
fi
#########################################################################################################################
## end of E. Install fn
#########################################################################################################################


#########################################################################################################################
## F. Stress test fn   (optional)
cd $dir/configrepo
if [ -f qe-6.1-test-suite.tar.gz ];then
		filesize=$(ls -la qe-6.1-test-suite.tar.gz | awk '{print $5}')
		if [ $filesize == 17094641 ]; then   #### provide the original file size of qe-6.1-test-suite.tar.gz
			echo qe-6.1-test-suite.tar.gz is present and file size tallies in $dir/configrepo/$fn. Proceed without downloading. >> $dir/script/$fn.log
			cat $dir/script/$fn.log
		else
			echo qe-6.1-test-suite.tar.gz is present but file size fails to tally in $dir/configrepo/$fn. Proceed with downloading. >> $dir/script/$fn.log
			cat $dir/script/$fn.log
			rm -rf qe-6.1-test-suite.tar.gz
			wget http://qe-forge.org/gf/download/frsrelease/240/1073/qe-6.1-test-suite.tar.gz
		fi
else
	echo qe-6.1-test-suite.tar.gz is absent in $dir/configrepo/$fn. Proceed with downloading. >> $dir/script/$fn.log
	cat $dir/script/$fn.log
	wget http://qe-forge.org/gf/download/frsrelease/240/1073/qe-6.1-test-suite.tar.gz
fi

cd $dir/configrepo/$fn
tar -zxvf ../qe-6.1-test-suite.tar.gz
## make test-suite > test-suite.log  ### optional ####
cd test-suite
# make run-tests-parallel  ##optional
#########################################################################################################################

cat $dir/script/$fn.log