#! /bin/bash

# This is a shell script which is supposed to install ase automatically. Excecute this script as a user, not as SU.

# Step 1, go to the home directory of the user, e.g., $HOME=/home/tlyoon
# Download this script from www2.fizik.usm.my/configrepo/howto/ase_hotbit/inst_ase into $HOME.
# Make this script executable by issuing 'chmod +x inst_ase'.
# Execute the script by issuing './inst_ase'.


#2. The following command liens will download the latest isntallation file from the ASE download page into $HOME. You may have to modify the version xxx as appear in ln -s ase-xxx.ase below. 

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cd $HOME
#svn checkout https://svn.fysik.dtu.dk/projects/ase/trunk ase
wget http://www2.fizik.usm.my/configrepo/howto/ase_hotbit/python-ase-3.6.1.2617.tar.gz
tar -zxvf python-ase-3.6.1.2617.tar.gz
ln -s python-ase-3.6.1.2617 ase
rm -rf python-ase-3.6.1.2617.tar.gz
#cd $HOME
#ln -s ase-3.5.1 ase
#ln -s ase-3.5.1.2175 ase

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# 3. Add the following path into the .bashrc file located in $HOME:

#export PYTHONPATH=$HOME/ase:$PYTHONPATH
#export PATH=$HOME/ase/tools:$PATH

#The shell script that will do that is as follow:

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echo 'export PYTHONPATH=$HOME/ase:$PYTHONPATH
export PATH=$HOME/ase/tools:$PATH' >> ~/.bashrc
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#4. After that invoke the change by 
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. ~/.bashrc
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#5. Test the code by doing the following:

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mkdir $HOME/testase
cd $HOME/testase
python $HOME/ase/tools/testase.py 2>&1 | tee testase.log
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