modreadme

install.sh

@@ -9,28 +9,28 @@ sudo apt install -y cmake
 sudo apt install -y libblas-dev
 sudo apt install -y libarpack2-dev
 sudo apt install -y openbabel  
-# Make the bashrc
+# Make the zshrc
 ## Merging the Python libraries of CMMDE
-echo "export PYTHONPATH=`pwd`/lib:$PYTHONPATH" >> ~/.bashrc
+echo "export PYTHONPATH=`pwd`/lib:$PYTHONPATH" >> ~/.zshrc
 ## Merging the CMMDE binaries to your PATH
-echo "export PATH=`pwd`/bin:$PATH" >> ~/.bashrc
+echo "export PATH=`pwd`/bin:$PATH" >> ~/.zshrc
-echo "export ORCA_COMMAND=/opt/orca/orca" >> ~/.bashrc
+echo "export ORCA_COMMAND=/opt/orca/orca" >> ~/.zshrc
-echo "export XTB_COMMAND=/usr/local/bin/xtb" >> ~/.bashrc
+echo "export XTB_COMMAND=/usr/local/bin/xtb" >> ~/.zshrc
 ## PATH to DCDFTBMD program, please refer the README.md to register the program at Nakai Lab of Waseda University
 ## Aktifkan baris di bawah jika anda sudah menginstall DCDFTBMD
-#echo "export DCDFTB_COMMAND=/path/to/DCDFTBMD/bin/binary" >> ~/.bashrc
+#echo "export DCDFTB_COMMAND=/path/to/DCDFTBMD/bin/binary" >> ~/.zshrc
 # If you have GROMACS
-#echo "export GROMACS_COMMAND=`pwd`/lib/cmmde_solution.py" >> ~/.bashrc
+#echo "export GROMACS_COMMAND=`pwd`/lib/cmmde_solution.py" >> ~/.zshrc
-#echo "export GROMACS_DIR=/path/to/gromacs/build/bin" >> ~/.bashrc
+#echo "export GROMACS_DIR=/path/to/gromacs/build/bin" >> ~/.zshrc
-#echo "alias gmx='path/to/gromacs/bin/gmx'" >> ~/.bashrc
+#echo "alias gmx='path/to/gromacs/bin/gmx'" >> ~/.zshrc
 #echo "export GROMACS_FF=/path/to/gromacs/source/share/top"
 #echo "export AMBER_FF=/path/to/miniconda/dat/leap/cmd"
 #echo "export DFTB_COMMAND=/path/to/dftb+/bin/dftb+"
 #echo "export DPTOOLS_DIR=/path/to/dftbplus/tools/dptools/bin"
 # If you have DOCK6
-#echo "export DMS_COMMAND=/usr/local/bin/dms" >> ~/.bashrc
+#echo "export DMS_COMMAND=/usr/local/bin/dms" >> ~/.zshrc
-#echo "export DOCK_DIR=/path/to/dock6/bin" >> ~/.bashrc
+#echo "export DOCK_DIR=/path/to/dock6/bin" >> ~/.zshrc
-#echo "export DOCK_PARM=/path/to/dock6/parameters" >> ~/.bashrc
+#echo "export DOCK_PARM=/path/to/dock6/parameters" >> ~/.zshrc
 
-## Pada kasus-kasus tertentu, source ~/.bashrc akan perlu dilakukan secara manual jika cmmde.py tidak terdeteksi di $PATH
+## Pada kasus-kasus tertentu, source ~/.zshrc akan perlu dilakukan secara manual jika cmmde.py tidak terdeteksi di $PATH
-source ~/.bashrc
+source ~/.zshrc