recipe biobb_cp2k

Biobb_cp2k is a BioBB category for CP2K QM package.

Homepage:

https://github.com/bioexcel/biobb_cp2k

License:

APACHE / Apache Software License

Recipe:

/biobb_cp2k/meta.yaml

[](https://biobb-cp2k.readthedocs.io/en/latest/?badge=latest) [](https://anaconda.org/bioconda/biobb_cp2k) [](https://quay.io/repository/biocontainers/biobb_cp2k?tab=tags) [](https://opensource.org/licenses/Apache-2.0)

# biobb_cp2k

### Introduction Biobb_cp2k allows setup and simulation of QM simulations using CP2K QM package. Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools. The latest documentation of this package can be found in our readthedocs site: [latest API documentation](http://biobb_ml.readthedocs.io/en/latest/).

### Copyright & Licensing This software has been developed in the [MMB group](https://mmb.irbbarcelona.org) at the [BSC](https://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).

* (c) 2015-2022 [Barcelona Supercomputing Center](https://www.bsc.es/) * (c) 2015-2022 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/) Licensed under the [Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0), see the file LICENSE for details.


package biobb_cp2k

Versions:

4.0.0-0,  3.9.0-0,  3.8.3-0,  3.8.2-0,  3.8.1-0,  3.8.0-0

Depends:

• biobb_common 4.0.0

• cp2k 7.1.0

• python >=3.7,<3.10

Required By:

Installation

With an activated Bioconda channel (see set-up-channels), install with:

conda install biobb_cp2k

and update with:

conda update biobb_cp2k

or use the docker container:

docker pull quay.io/biocontainers/biobb_cp2k:<tag>

(see biobb_cp2k/tags for valid values for <tag>)

Download stats

Link to this page

Render an badge with the following MarkDown:

[![install with bioconda](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat)](http://bioconda.github.io/recipes/biobb_cp2k/README.html)