# votca

**Repository Path**: wanlin_cai/votca

## Basic Information

- **Project Name**: votca
- **Description**: No description available
- **Primary Language**: Unknown
- **License**: Not specified
- **Default Branch**: master
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2020-03-17
- **Last Updated**: 2020-12-19

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

[![Codacy Badge](https://api.codacy.com/project/badge/Grade/48a26be8dd8b4f0fa67c93646fa6d30d)](https://www.codacy.com/manual/votca-package/votca?utm_source=github.com&utm_medium=referral&utm_content=votca/votca&utm_campaign=Badge_Grade)
[![Build Status](https://travis-ci.org/votca/votca.svg?branch=master)](https://travis-ci.org/votca/votca)
[![pipeline status](https://gitlab.com/votca/votca/badges/master/pipeline.svg)](https://gitlab.com/votca/votca/commits/master)
[![DOI](https://zenodo.org/badge/75022030.svg)](https://zenodo.org/badge/latestdoi/75022030)

This is VOTCA's next generation build system for CSG and XTP. It allows you to easily install: 

-   VOTCA-CSG, a library which provides tools to develop coarse-grained potentials from atomistic simulation data
-   VOTCA-XTP, a library designed to determine electronic properties of organic materials from atomistic MD-trajectories.

Usage:

    prefix=WHERE/TO/INSTALL/VOTCA
    version=master # or 'stable' or 'v1.4.1'
    git clone -b ${version} --recursive https://github.com/votca/votca.git
    cd votca
    mkdir build
    cd build
    cmake -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -DCMAKE_INSTALL_PREFIX=${prefix} ..
    cmake --build . -- -j<number of cores>
    cmake --build . --target install

Using this code via docker:

    docker pull votca/votca
    docker run -it votca/votca /bin/bash

For further details see:

1. [Installation](share/doc/INSTALL.md)
2. [Further Information](http://www.votca.org)
3. [Developers Guide](share/doc/DEVELOPERS_GUIDE.md)
4. [VOTCA_LANGUAGE_GUIDE](share/doc/VOTCA_LANGUAGE_GUIDE.md)
5. [Code of Conduct](share/doc/CODE_OF_CONDUCT.md)

If you want to install CTP 

    prefix=WHERE/TO/INSTALL/VOTCA
    git clone -b ctp --recursive https://github.com/votca/votca.git
    cd votca
    mkdir build
    cd build
    cmake -DBUILD_CTP=ON -DCMAKE_INSTALL_PREFIX=${prefix} ..
    cmake --build . -- -j<number of cores>
    cmake --build . --target install