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CP2K Tools

Plugin for the Vim editor

  syntax highlighting and editing features for CP2K input files.

Syntax highlighting for CP2K input files can be enabled with the (g)vim editor using the vim plugin file cp2k.vim. Download the file cp2k.vim and copy it to the folder ~/.vim/syntax in your home directory, e.g. using

wget http://manual.cp2k.org/trunk/cp2k.vim
mkdir -p ~/.vim/syntax
mv cp2k.vim ~/.vim/syntax

In addition create a file with the name filetype.vim in the ~/.vim folder containing the following lines

if exists("did_load_filetypes")
   finish
endif
augroup filetypedetect
   au! BufNewFile,BufRead *.inp setf cp2k
augroup END

which causes that all files with the name extension “.inp” will be considered as CP2K input files by the Vim editor. You may change the extension due to your favored settings.

Syntax folding

The syntax folding based on the CP2K input line indentation is supported by default. The following Vim editor commands might be useful for large CP2K input files:

  • za :: Toggle the folding of the current fold level
  • zA :: Toggle the folding of all fold levels recursively
  • zM :: Close all folds in the current buffer
  • zR :: Open all folds in the current buffer

Automatic indenting

An automatic indenting of the CP2K input lines while typing in insert mode is activated by default. The number of blanks used for the indentation can be defined in the ~/.vimrc file by

au FileType cp2k setlocal shiftwidth=1 tabstop=1

which changes the indentation only for the specified file type cp2k, whereas

set shiftwidth=1 tabstop=1

will change the indentation for all file types and buffers.

The indentation can also be changed at any time during a Vim editing session by

:set shiftwidth=2 tabstop=2

Likewise, the automatic indenting can be switched off by setting

:set shiftwidth=0 tabstop=0

Plugin for the GNU EMACS editor

emacs screen shot for cp2k input

cp2k-mode.el provides a major mode in emacs for editing CP2K input files. It has been tested on emacs 21, 23 and 24.

Functionalities

Recognises and font-locks
  • the full CP2K input preprocessor syntax
  • the sections and subsections
  • the keywords
  • the comment lines
Indents lines according to the CP2K input syntax using <tab> key
Input sections can be folded or unfolded, using emacs ''outline-minor-mode''
  • outline-toggle-children when called on an unfolded section, folds the section recursively; when called on a folded section, unfolds the top level tree
  • show-all when called unfolds all sections recursively
  • show-subtree when called unfolds a folded section recursively
New interactive functions
  • cp2k-indent-line :: indents the line according to CP2K input syntax.
  • cp2k-beginning-of-block :: goes to the beginning of the subsection, marks the current cursor position.
  • cp2k-end-of-block :: goes to the ending of the subsection, marks the current cursor position.
Key Bindings
  • <tab> :: cp2k-indent-line
  • C-j :: newline-and-indent
  • C-c ; :: comment-region
  • C-M-a :: cp2k-beginning-of-block
  • C-M-e :: cp2k-end-of-block
  • C-c C-c :: outline-toggle-children
  • C-c C-a :: show-all
  • C-c C-t :: show-subtree

How to Obtain

You can download cp2k-mode.el from GitHub.

It should also come with the latest version of CP2K source, in:

cp2k/tools/input_editing/emacs/

Installation

You need to put cp2k-mode.el in one of your local emacs lisp directories, which is in the search path of your emacs installation.

Adding to emacs's search path

If you have never installed any packages manually before, and do not know the search path of your emacs installation, then in your home directory create directory:

~/.emacs.d/lisp/

This is the usual place where the local/user defined emacs lisp files are installed. Move cp2k-mode.el to ~/.emacs.d/lisp/

Then, add the following to your .emacs file (which should be in your home directory, and if it does not exist, create one):

(add-to-list 'load-path "~/.emacs.d/lisp/")

This tells emacs to add ~/.emacs.d/lisp/ to its search path for *.el files.

Tell emacs to load cp2k-mode.el at startup

Once cp2k-mode.el is in the search path, we need to tell emacs to load it at start up, this is done by adding

(require 'cp2k-mode nil 'noerror)

to your .emacs file.

Tell emacs to recognise *.inp automatically as a cp2k input file

Add

(add-to-list 'auto-mode-alist '("\\.inp\\'" . cp2k-mode))

to your .emacs file.

tools.1391778039.txt.gz · Last modified: 2020/08/21 10:15 (external edit)