#! /bin/bash ## customize /home/$username/.bashrc for the user as specified in /share/apps/configrepo/users_data/newuser.dat username=$(cat /share/apps/configrepo/users_data/newuser.dat | awk '{print $2}') echo ' ' >> /home/$username/.bashrc cat << 'EOF' >> /home/$username/.bashrc ################################# Added by Gaussian 09 if [ -d /share/apps/g09 ]; then export PATH=/share/apps/g09:$PATH export g09root=/share/apps/g09 source $g09root/bsd/g09.profile export LD_LIBRARY_PATH=$g09root export GAUSS_EXEDIR=$g09root fi if [ -d /state/partition1/ext_storage ]; then if [ ! -d /state/partition1/ext_storage/$USER ]; then mkdir /state/partition1/ext_storage/$USER chown -R $USER:users /state/partition1/ext_storage/$USER export GAUSS_SCRDIR=/state/partition1/ext_storage/$USER fi else if [ ! -d /state/partition1/$USER ]; then mkdir /state/partition1/$USER chown -R $USER:users /state/partition1/$USER export GAUSS_SCRDIR=/state/partition1/$USER fi fi ################################# end of Added by Gaussian 09 EOF echo ' ' >> /home/$username/.bashrc echo 'export PATH=/share/apps/local/bin:$PATH' >> /home/$username/.bashrc echo ' ' >> /home/$username/.bashrc echo '# Added by PGI installation ' >> /home/$username/.bashrc echo 'export PGI=/share/apps/pgi;' >> /home/$username/.bashrc echo 'export PATH=/share/apps/pgi/linux86-64/2019/bin:$PATH' >> /home/$username/.bashrc echo 'export MANPATH=$MANPATH:/share/apps/pgi/linux86-64/2019/man' >> /home/$username/.bashrc echo 'export LM_LICENSE_FILE=$LM_LICENSE_FILE:/share/apps/pgi/license.dat' >> /home/$username/.bashrc echo 'export PATH=/share/apps/pgi/linux86-64/2019/mpi/openmpi/bin:$PATH' >> /home/$username/.bashrc echo ' ' >> /home/$username/.bashrc source /home/$username/.bashrc echo ' ' >> /home/$username/.bashrc echo '# Added by intel compilers and libraries' >> /home/$username/.bashrc echo 'if [ -d "/share/apps/intel/compilers_and_libraries/linux/bin/" ]' >> /home/$username/.bashrc echo 'then' >> /home/$username/.bashrc echo 'source /share/apps/intel/compilers_and_libraries/linux/bin/compilervars.sh intel64' >> /home/$username/.bashrc echo 'source /share/apps/intel/compilers_and_libraries/linux/mkl/bin/mklvars.sh intel64' >> /home/$username/.bashrc echo 'source /share/apps/intel/compilers_and_libraries/linux/mpi/bin64/mpivars.sh intel64' >> /home/$username/.bashrc echo ' ' >> /home/$username/.bashrc echo 'fi' >> /home/$username/.bashrc echo ' ' >> /home/$username/.bashrc echo '# Added by CUDA installation ' >> /home/$username/.bashrc echo 'export PATH=/usr/local/cuda/bin:$PATH' >> /home/$username/.bashrc echo 'export LD_LIBRARY_PATH=/usr/local/cuda/lib64:$LD_LIBRARY_PATH' >> /home/$username/.bashrc echo 'export CUDA_HOME=/usr/local/cuda' >> /home/$username/.bashrc echo ' ' >> /home/$username/.bashrc #echo ' ' >> /home/$username/.bashrc #echo '# >>> conda initialize >>>' >> /home/$username/.bashrc #echo '# !! Contents within this block are managed by 'conda init' !!' >> /home/$username/.bashrc #echo '__conda_setup="$('/share/apps/anaconda3/bin/conda' 'shell.bash' 'hook' 2> /dev/null)"' >> /home/$username/.bashrc #echo 'if [ $? -eq 0 ]; then' >> /home/$username/.bashrc #echo ' eval "$__conda_setup"' >> /home/$username/.bashrc #echo 'else' >> /home/$username/.bashrc #echo ' if [ -f "/share/apps/anaconda3/etc/profile.d/conda.sh" ]; then' >> /home/$username/.bashrc #echo ' . "/share/apps/anaconda3/etc/profile.d/conda.sh"' >> /home/$username/.bashrc #echo ' else' >> /home/$username/.bashrc #echo ' export PATH="/share/apps/anaconda3/bin:$PATH"' >> /home/$username/.bashrc #echo ' fi' >> /home/$username/.bashrc #echo 'fi' >> /home/$username/.bashrc #echo 'unset __conda_setup' >> /home/$username/.bashrc #echo '# <<< conda initialize <<<' >> /home/$username/.bashrc