Scripting For Environmental Scientists

University of Manchester

Online

Feb 8-12, Mar 24, 2021

9:00 am - 4:30 pm

Instructors: Douglas Lowe, Julien Sindt

Helpers: Anja le Blanc, Juan Rodriguez Herrera, Andrew Smedley, Joshua Woodcock, Eleanor Broadway, William Lucas

Sponsor: Natural Environment Research Council, through a grant from the Industrial Strategy Training Course program to Prof. David Schultz at the University of Manchester.

General Information

The aim of this workshop is to help researchers improve their computational research techniques. This hands-on workshop will use Software Carpentry material to teach UNIX shell scripting, version control, and task automation. It will will also introduce the researchers to High Performance Computing (HPC) environments, using the new ARCHER2 service. The first half of the course will be guided teaching, following Software Carpentry principles. The second half of the course will be dedicated to project work, giving the participants time to apply these new concepts to their own research work, with the benefit of advice from the tutors, and other participants, to do this. There will also be dedicated time in the schedule for participants to socialise and network. In March, as a separate day event, our partners at NAG will introduce participants to cloud computing. This will give an overview of the cloud, what it is, how to access it, and how to manage costs; as well as guiding participants on how to run workflows in the cloud, focusing on working with docker containers.

For more information on what we teach and why, please see Software Carpentry's paper "Best Practices for Scientific Computing".

Who: The course is aimed at graduate students and other researchers. You don't need to have any previous knowledge of the tools that will be presented at the workshop.

Where: This training will take place online. The instructors will provide you with the information you will need to connect to this meeting.

When: Feb 8-12, Mar 24, 2021. Add to your Google Calendar.

Requirements: Participants must bring a computer with a Mac, Linux, or Windows operating system (not a tablet, Chromebook, etc.). Lessons for the first two days will be taught using linux virtual machines which are accessible using a web browser, while the lesson on the third day will be taught using a remote HPC system. However, students can follow some of the lessons on their own machines if they wish. For this they that they should have a few specific software packages installed (listed below), which may require them to have administrative privileges on their computer.

Accessibility: We are dedicated to providing a positive and accessible learning environment for all. Please notify the instructors in advance of the workshop if you require any accommodations or if there is anything we can do to make this workshop more accessible to you.

Contact: Please email david.schultz@manchester.ac.uk , Anja.LeBlanc@manchester.ac.uk or douglas.lowe@manchester.ac.uk for more information.

Who can attend?: This workshop is open to all postgraduate students and early career scientists working in the earth, atmospheric, oceanic, and environmental sciences. In the case of over-subscription priority will be given to NERC-funded PhD students, but all other eligible researchers are encouraged to apply.


Code of Conduct

Everyone who participates in Carpentries activities is required to conform to the Code of Conduct. If you need to report a breach of the CoC, please email the course host (David Schultz) using the email address listed in the contact section.


Collaborative Notes

We will use both Slack and this collaborative document for chatting, taking notes, and sharing URLs and bits of code. An invitation to the Slack workspace will be sent to all participants before the course.



Schedule

Mon 8th

09:00 Automating Tasks with the Unix Shell
10:30 Morning break
11:00 Automating Tasks with the Unix Shell (Continued)
12:00 Lunch break
13:00 Version Control with Git
14:30 Afternoon break
15:00 Version Control with Git (Continued)
16:00 Wrap-up
16:30 END

Tue 9th

09:00 Advanced Scripting with the Unix Shell
10:30 Morning break
11:00 Advanced Scripting with the Unix Shell (Continued)
12:00 Lunch break
13:00 Course Social
15:00 Project Work
16:30 END

Wed 10th

09:00 HPC Workflows
10:30 Morning break
11:00 HPC Workflows (Continued)
12:00 Lunch break
13:00 HPC Workflows (Continued)
14:30 Afternoon break
15:00 HPC Workflows (Continued)
16:00 Wrap-up
16:30 END

Thur 11th/ Fri 12th

09:00 Project Work (with breaks as necessary)
12:00 Lunch break
13:00 Project Work (with breaks as necessary)
16:00 (Friday) Wrap-up
16:30 END

Setup

To participate in a Software Carpentry workshop, you will need access to the software described below. These will be available for you in the provided linux virtual machines (for which you will need an up-to-date web browser), but if you wish to work on your computer too, follow the installation instructions below.

To connect to ARCHER2 on the Wednesday you will need an ssh client. On linux and OSX this can be done from the terminal, but on Windows you will need to install a terminal client. The recommended client is MobaXterm Home Edition (Installer Edition).

We maintain a list of common issues that occur during installation as a reference for instructors that may be useful on the Configuration Problems and Solutions wiki page.

Install the videoconferencing client

If you haven't used Zoom before, go to the official website to download and install the Zoom client for your computer.

Set up your workspace

Like other Carpentries workshops, you will be learning by "coding along" with the Instructors. To do this, you will need to have both the window for the tool you will be learning about (a terminal, RStudio, your web browser, etc..) and the window for the Zoom video conference client open. In order to see both at once, we recommend using one of the following set up options:

This blog post includes detailed information on how to set up your screen to follow along during the workshop.

The Bash Shell

Bash is a commonly-used shell that gives you the power to do tasks more quickly.

  1. Download the Git for Windows installer.
  2. Run the installer and follow the steps below:
    1. Click on "Next" four times (two times if you've previously installed Git). You don't need to change anything in the Information, location, components, and start menu screens.
    2. From the dropdown menu select "Use the Nano editor by default" (NOTE: you will need to scroll up to find it) and click on "Next".
    3. On the page that says "Adjusting the name of the initial branch in new repositories", ensure that "Let Git decide" is selected. This will ensure the highest level of compatibility for our lessons.
    4. Ensure that "Git from the command line and also from 3rd-party software" is selected and click on "Next". (If you don't do this Git Bash will not work properly, requiring you to remove the Git Bash installation, re-run the installer and to select the "Git from the command line and also from 3rd-party software" option.)
    5. Ensure that "Use the native Windows Secure Channel Library" is selected and click on "Next".
    6. Ensure that "Checkout Windows-style, commit Unix-style line endings" is selected and click on "Next".
    7. Ensure that "Use Windows' default console window" is selected and click on "Next".
    8. Ensure that "Default (fast-forward or merge) is selected and click "Next"
    9. Ensure that "Git Credential Manager Core" is selected and click on "Next".
    10. Ensure that "Enable file system caching" is selected and click on "Next".
    11. Click on "Install".
    12. Click on "Finish" or "Next".
  3. If your "HOME" environment variable is not set (or you don't know what this is):
    1. Open command prompt (Open Start Menu then type cmd and press Enter)
    2. Type the following line into the command prompt window exactly as shown:

      setx HOME "%USERPROFILE%"

    3. Press Enter, you should see SUCCESS: Specified value was saved.
    4. Quit command prompt by typing exit then pressing Enter

This will provide you with both Git and Bash in the Git Bash program.

Video Tutorial

The default shell in some versions of macOS is Bash, and Bash is available in all versions, so no need to install anything. You access Bash from the Terminal (found in /Applications/Utilities). See the Git installation video tutorial for an example on how to open the Terminal. You may want to keep Terminal in your dock for this workshop.

To see if your default shell is Bash type echo $SHELL in Terminal and press the Return key. If the message printed does not end with '/bash' then your default is something else and you can run Bash by typing bash

If you want to change your default shell, see this Apple Support article and follow the instructions on "How to change your default shell".

Video Tutorial

The default shell is usually Bash and there is usually no need to install anything.

To see if your default shell is Bash type echo $SHELL in a terminal and press the Enter key. If the message printed does not end with '/bash' then your default is something else and you can run Bash by typing bash.

Git

Git is a version control system that lets you track who made changes to what when and has options for easily updating a shared or public version of your code on github.com. You will need a supported web browser.

You will need an account at github.com for parts of the Git lesson. Basic GitHub accounts are free. We encourage you to create a GitHub account if you don't have one already. Please consider what personal information you'd like to reveal. For example, you may want to review these instructions for keeping your email address private provided at GitHub.

For macOS, install Git for Mac by downloading and running the most recent "mavericks" installer from this list. Because this installer is not signed by the developer, you may have to right click (control click) on the .pkg file, click Open, and click Open on the pop up window. After installing Git, there will not be anything in your /Applications folder, as Git is a command line program. For older versions of OS X (10.5-10.8) use the most recent available installer labelled "snow-leopard" available here.

Video Tutorial

If Git is not already available on your machine you can try to install it via your distro's package manager. For Debian/Ubuntu run sudo apt-get install git and for Fedora run sudo dnf install git.

Text Editor

When you're writing code, it's nice to have a text editor that is optimized for writing code, with features like automatic color-coding of key words. The default text editor on macOS and Linux is usually set to Vim, which is not famous for being intuitive. If you accidentally find yourself stuck in it, hit the Esc key, followed by :+Q+! (colon, lower-case 'q', exclamation mark), then hitting Return to return to the shell.

nano is a basic editor and the default that instructors use in the workshop. It is installed along with Git.

nano is a basic editor and the default that instructors use in the workshop. See the Git installation video tutorial for an example on how to open nano. It should be pre-installed.

Video Tutorial

nano is a basic editor and the default that instructors use in the workshop. It should be pre-installed.