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 96cdd5ac6af9c060be392a95f14dbcbca5c1a890
   $ git clone https://github.com/mitsuaki1987/sctk.git -b sctk1.2.1-qe6.7
   $ 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

   $ git clone https://gitlab.com/QEF/q-e.git
   $ cd q-e
   $ git checkout THE_HASH_CAN_BE_SEEN_AT https://github.com/mitsuaki1987/sctk/blob/develop/readme.md
   $ git clone https://github.com/mitsuaki1987/sctk.git -b develop
   $ patch -p1 < sctk/patch.diff
   

   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
   $ cd sctk
   $ make
   

   The executable file is sctk.x.