Set up working directory

First, you want to create a folder that will have the data and the dependencies. We can call this folder my-analysis, and make sure to move inside this folder in the terminal with:

mkdir my-analysis
cd my-analysis

Installing dependencies

There are two options to install the dependencies: 1) via Docker or 2) manually. We describe both approaches next.

Option 1: Installing Dependencies via Docker

To run a Docker container, you need two things: a DockerHub account and a Docker Engine.

1. Get a DockerHub account

To register for a DockerHub account, go to DockerHub website and follow the sign-up steps.

2. Get a Docker Engine

To install a Docker Engine, go to Docker Engine website.

3. Get the Docker container

Now you finish all the setting up steps, it’s time to get an actual container for TICR pipeline. To get the Docker container, open a terminal (for Windows user, open the PowerShell) and navigate to the folder where you store the dataset that you wish to run, and enter

docker login

You should be able to see the following in the terminal:

Authenticating with existing credentials...
Login Succeeded

After login, type the following in the command:

docker pull solislemus/ticr-docker:1

Note that Docker Desktop needs to be running, so if you are running these steps on different days, make sure to open Docker Desktop before docker pull.

The docker pull command will start pulling the Docker image from the docker hub. After it is done, type the following into the terminal:

docker image ls

You should see something similar to this:

REPOSITORY               TAG       IMAGE ID       CREATED       SIZE
solislemus/ticr-docker   1         c71702751c24   3 months ago   2.15GB

The image ID might be different.

Now you have the Docker image!

To run the Docker container of TICR pipeline, run the following command:

docker run -it -v ${pwd}:/scratch -w /scratch solislemus/ticr-docker:1 /bin/bash

When the container starts, /scratch will be the working directory.

You should see your terminal changed into this:

root@2c79e088aa44:/scratch#

This means you are already in the Docker container with all required software installed and all dependencies sorted out! Now you could do anything in the pipeline as you would do locally.

Option 2: Install dependencies manually

Download BUCKy
Download QuartetMaxCut
Download MrBayes
Download julia and follow instructions to install julia

Install the necessary packages: open julia then type

  using Pkg # to use functions that manage packages
  Pkg.add("PhyloNetworks") # to download & install package PhyloNetworks
  Pkg.add("PhyloPlots")
  Pkg.add("RCall")      # packaage to call R from within julia
  Pkg.add("CSV")        # to read from / write to text files, e.g. csv files
  Pkg.add("DataFrames") # to create & manipulate data frames
  Pkg.add("StatsModels")# for regression formulas
  using PhyloNetworks   # may take some time: pre-compiles functions in that package
  using PhyloPlots

and close julia with exit().

Download the TICR scripts

Whether you are in /scratch inside the Docker, or in a project directory my-analysis, you have to git clone the TICR repo to use the TICR scripts that run MrBayes, BUCKy and Quartet MaxCut:

pwd ## you are in /scratch or your working directory
git clone https://github.com/nstenz/TICR.git

We will be using the standard scripts to run on a local machine or server, but note that there are SLURM scripts available here.

Downloading data via git clone

Whether you are in /scratch inside the Docker, or in a project directory my-analysis, you can clone this repository with the data:

pwd ## you are in /scratch or your working directory
git clone https://github.com/solislemuslab/snaq-tutorial.git

This will download the learning materials and the data (in folder data).

If you are using your own data, simply create a folder with your data.

For participants in the RBG workshop

Information ssh-ing to the Crop Diversity HPC cluster can be found here.

Basically, you have to use your username and password (or pass key):

ssh USERNAME@gruffalo.cropdiversity.co.uk
cd /mnt/shared/scratch/YOUR_USER_NAME/network_workshop