Installation

Prerequisite

The prerequisite of SCTK is the same as that of QuantumESPRESSO.

Installation procedure

  1. Clone thee source code of QuantumESPRESSO and SCTK as follows:

    $ git clone https://gitlab.com/QEF/q-e.git
    $ cd q-e
    $ git checkout qe-7.4.1
    $ git clone https://github.com/mitsuaki1987/sctk.git -b develop SCTK
    $ patch -p1 < SCTK/patch.diff
    

    To try the developping version, the corresponding original QE hash can be seen at https://github.com/mitsuaki1987/sctk/blob/develop/readme.md

    This was forked from the original QuantumESPRESSO.

  2. Configure the environment with the script configure as the same as the original QuantumESPRESSO.

    $ ./configure
    
  3. Make

    $ make pw ph pp sctk
    

    The executable file is sctk.x. Sometimes, we need to make again because of incomplete compilation of SCTK.

    $ make sctk