diff --git a/README.md b/README.md index 9abe4f6..db54321 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,10 @@ # mdstudio_haddock [![Build Status](https://travis-ci.org/MD-Studio/mdstudio_haddock.svg?branch=master)](https://travis-ci.org/MD-Studio/mdstudio_haddock) +[![Codacy Badge](https://api.codacy.com/project/badge/Grade/45c094619e7d422f8e8245774442e498)](https://www.codacy.com/manual/marcvdijk/MDStudio_haddock?utm_source=github.com&utm_medium=referral&utm_content=MD-Studio/MDStudio_haddock&utm_campaign=Badge_Grade) +[![codecov](https://codecov.io/gh/MD-Studio/MDStudio_haddock/branch/master/graph/badge.svg)](https://codecov.io/gh/MD-Studio/MDStudio_haddock) + +![Configuration settings](mdstudio-logo.png) This repository gathers different interfaces to HADDOCK software (http://www.bonvinlab.org/software/haddock2.2/) developed by the group of Prof. dr. Alexandre Bonvin at Utrecht University. @@ -27,6 +31,55 @@ Within the console, all XMLRPC API methods are accessible and some of them have The complete list of commands (including native ones) can be obtained with `help` and each command has a description/usage output with `help command`. +## Installation Quickstart +MDStudio haddock can be used in the MDStudio environment as Docker container or as standalone service. + +### Install option 1 Pre-compiled Docker container +MDStudio haddock can be installed quickly from a pre-compiled docker image hosted on DockerHub by: + + docker pull mdstudio/mdstudio_haddock + docker run (-d) mdstudio/mdstudio_haddock + +In this mode you will first need to launch the MDStudio environment itself in order for the MDStudio haddock service to +connect to it. You can unify this behaviour by adding the MDStudio haddock service to the MDStudio service environment as: + + MDStudio/docker-compose.yml: + + services: + mdstudio_haddock: + image: mdstudio/mdstudio_haddock + links: + - crossbar + environment: + - CROSSBAR_HOST=crossbar + volumes: + - ${WORKDIR}/mdstudio_haddock:/tmp/mdstudio/mdstudio_haddock + +And optionally add `mdstudio_haddock` to MDStudio/core/auth/settings.dev.yml for automatic authentication and +authorization at startup. + +### Install option 2 custom build Docker container +You can custom build the MDStudio haddock Docker container by cloning the MDStudio_haddock GitHub repository and run: + + docker build MDStudio_haddock/ -t mdstudio/mdstudio_haddock + +After successful build of the container follow the steps starting from `docker run` in install option 1. + +### Install option 3 standalone deployment of the service +If you prefer a custom installation over a (pre-)build docker container you can clone the MDStudio_haddock GitHub +repository and install `mdstudio_haddock` locally as: + + pip install (-e) mdstudio_haddock/ + +Followed by: + + ./entry_point_mdstudio_haddock.sh + +or + + export MD_CONFIG_ENVIRONMENTS=dev,docker + python -u -m mdstudio_haddock + ## Acknowledgment This project has been developed in the Computational Structural Biology group of Utrecht University.