Installation

Prerequisite

The prerequisite of SCTK is the same as that of the original Quantum ESPRESSO.

Installation procedure

  1. Clone the source code of Quantum ESPRESSO and SCTK as follows:
    
    $ git clone https://gitlab.com/QEF/q-e.git -b master
    $ cd q-e
    $ git clone https://github.com/mitsuaki1987/sctk.git -b main SCTK
    $ patch -p1 < SCTK/patch.diff
        
    To try the developing version (develop branch), see https://github.com/mitsuaki1987/sctk/blob/develop/readme.md.
  2. Configure the environment with the script configure as the same as the original Quantum ESPRESSO.
    
    $ ./configure
        
  3. Make
    
    $ make pw ph pp sctk
        
    The executable file is sctk.x. Sometimes, we need to run make again because of incomplete compilation of SCTK.
    
    $ make sctk