comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-28 14:15:19 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Document new SIRIUS and JSON flags.

Browse source 
svn-origin-rev: 18582
This commit is contained in:
Ole Schütt 2018-08-08 09:59:38 +00:00
parent f0e5201b4a
commit bebe6d1c4f
1 changed files with 12 additions and 0 deletions
Download patch file Download diff file Expand all files Collapse all files

12
INSTALL
View file

@ -206,6 +206,18 @@ A library for finding and handling crystal symmetries
* The spglib can be downloaded from https://github.com/atztogo/spglib
* For building CP2K with the spglib add -D__SPGLIB to DFLAGS
==== 2q. JSON-Fortran (optional, required for SIRIUS) ====
JSON-Fortran is a Fortran 2008 JSON API.
* The code is available at https://github.com/jacobwilliams/json-fortran
* For building CP2K with JSON-Fortran add -D__JSON to DFLAGS.
==== 2r. SIRIUS (optional, plane wave calculations) ====
SIRIUS is a domain specific library for electronic structure calculations.
* The code is available at https://github.com/electronic-structure/SIRIUS
* For building CP2K with SIRIUS add -D__SIRIUS to DFLAGS.
* Furthermore, SIRIUS depends on JSON-Fortran.
* See https://electronic-structure.github.io/SIRIUS/ for more information.
===== 3. Compile =====
==== 3a. ARCH files ====