Compilation and Installation

Procedure

1. Use PuTTY to log in to the server as the root user.
2. Run the following commands to decompress the Psi4 installation package:

   cd /path/to/PSI4
   tar -xvf psi4-1.3.2.tar.gz

3. Run the following command to go to the directory generated after decompression:

   cd psi4-1.3.2

4. Run the following commands to perform the compilation:

   mkdir build install
   cmake -H. -B/path/to/PSI4/build -DCMAKE_INSTALL_PREFIX=/path/to/PSI4/install -Dpybind11_DIR=/path/to/PYBIND11/install/share/cmake/pybind11 -Dgau2grid_DIR=/path/to/GAU2GRID/install/share/cmake/gau2grid -DLibint_DIR=/path/to/LIBINT/install/share/cmake/Libint -DLibxc_DIR=/path/to/LIBXC/install/share/cmake/Libxc

5. Run the following commands to perform the installation:

   cd /path/to/PSI4/build
   make -j
   make install

6. Run the following commands to view the generated executable file:

   ll /path/to/PSI4/install/bin

   -rwxr-xr-x 1 root root 12139 Mar  9 10:47 psi4