# cp2k-syntax
Comprehensive syntax highlighting for [CP2K](https://www.cp2k.org/ "CP2K Project") input files in Sublime Text 3.

[**CP2K**](https://www.cp2k.org/ "CP2K Project") is a freely available program package to perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.

![alt text](figures/sample-input.png?raw=true "CP2K input file syntax highlighting for Sublime Text 3")

Color scheme in the example figure is [base16-railscasts](https://github.com/chriskempson/base16 "Base16 Color schemes") 

## Features
* Syntax highlighting based on the `.sublime-syntax` format requiring a recent version of Sublime Text 3 (minimum build number 3084)
* Standalone python linter which parses the input file and compares it to the [XML input description](https://www.cp2k.org/howto:generate_manual?s[]=xml "Instructions for generating the XML input description ") of CP2K
* Snippets for commonly used control sequences

## Installation

The simplest way to install this package is via [Package Control](https://packagecontrol.io/ "Sublime Text Package Control"). Alternatively, you can clone this repository.

#### Installation via Package Control
1. Make sure you have a working python interpreter (supported versions `=>2.5` and `3.x`).
2. If not already installed, install [Package Control](https://packagecontrol.io/installation "Package Control installation instructions") for Sublime Text 3.
3. Install [SublimeLinter](http://www.sublimelinter.com/en/latest/installation.html "SublimeLinter installation instructions").
4. Install this package via Package Control
	1. Open the Command Palette (`ctrl+shift+p` on Linux/Windows)
	2. Type `install` and select `Package Control: Install Package`
	3. Type `cp2k` and select `cp2k-syntax`

#### Installation via Git
1. Make sure you have all the prerequisites listed above.
2. Open a terminal and create a working directory for this repository.
3. Move to the directory you created in the previous step and clone the repository `git clone https://github.com/nholmber/cp2k-syntax`
4. Create a folder for this package in your local Sublime Text [`Packages/User`](http://docs.sublimetext.info/en/latest/basic_concepts.html? "Instructions for finding the directory") directory.
5. Recursively copy (`cp -r *`) all files related to this package into the folder you created in the previous step. 

## Usage and configuration

By default, files ending in `.inp`, `.inc`, and `.restart` are recognized as CP2K input files and syntax highlighting should be applied to these files automatically. If for some reason the automatic detection does not work or you wish to enable highlighting for a different file extension, you need to take the following steps

1. Open the file for which you wish to enable syntax highlighting.
2. Navigate to `View -> Syntax -> Open all with current extension as ... -> CP2K Input`


The output of the linter is parsed and displayed on screen by the `SublimeLinter` package. To customize the linting view and other settings, please take a look at the documentation of [`SublimeLinter`](http://www.sublimelinter.com/en/latest/index.html# "Customizing SublimeLinter").

The linter recognizes allowed keyword names by parsing the XML input description of CP2K. A sample XML file `sample-xml/cp2k_input.xml` is provided for CP2K version `3.0` and the linter by default uses this file. If you are using a different version of CP2K, you can replace the default XML file with your own file by following these steps

1. Create an [XML input description](https://www.cp2k.org/howto:generate_manual?s[]=xml "Instructions for generating the XML input description of CP2K") for your version of CP2K.
2. Place the generated `cp2k_input.xml` in any directory.
3. Configure the linter to use the generated file.
	1. Open the Command Palette (`ctrl+shift+p` on Linux/Windows)
	2. Type `preferences sub` and select `Preferences: SublimeLinter Settings -- User`
	3. Scroll down the settings until you find `cp2klint` settings (under `linters`).
	4. Replace the default `manualfile` with your own XML file including a full path and filename for the file.

## Contributing

If you find bug in the linter or syntax highlighting, please open a new issue in the [issue tracker](https://github.com/nholmber/cp2k-syntax/issues) and include a minimal input file for reproducing the bug. You can also contribute directly by forking the project and posting a pull request. Check the [issue tracker](https://github.com/nholmber/cp2k-syntax/issues) for known issues and nice-to-have unimplemented features.