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DCC workshop: Package and Environment Management for Reproducible Research Software

DCC workshop: Package and Environment Management for Reproducible Research Software In-Person

The goal of this workshop is:

  • To understand the importance of environment management in ensuring reproducibility.
  • To learn how to use popular tools for managing packages and environments.
  • To gain hands-on experience in setting up and managing environments.

Program Outline:

1. Introduction to Package and Environment Management (15 minutes)

  • Why Environment Management Matters: Discuss the importance of reproducibility in research and how proper environment management plays a crucial role.
  • Challenges in Managing Dependencies: Overview of common issues like dependency conflicts, version control, and platform differences.
  • Overview of Tools: Brief introduction to the tools covered in the workshop: Conda, Virtualenv, Pipenv, and Docker.

2. Managing Python Environments with Conda 

  • Introduction to Conda: What is Conda, and why use it?
  • Creating and Managing Environments:
    • Creating a new environment.
    • Installing packages within an environment.
    • Activating and deactivating environments.
    • Exporting and sharing environments (environment.yml).
  • Hands-on Activity: Participants create and manage a Conda environment for a small Python project.

3. Virtualenv and Pip for Environment Management 

  • Introduction to Virtualenv: What it is and how it differs from Conda.
  • Using Virtualenv:
    • Setting up a Virtualenv environment.
    • Installing packages using Pip.
    • Freezing and exporting requirements (requirements.txt).
  • Introduction to Pipenv: Overview of how Pipenv integrates Pip and Virtualenv.
  • Hands-on Activity: Participants set up an environment using Virtualenv or Pipenv.

4. Containerization with Docker (30 minutes)

  • Introduction to Docker: What is Docker, and why is it useful for environment management?
  • Creating and Using Docker Containers:
    • Basics of Dockerfiles and containerization.
    • Building a Docker image for a Python project.
    • Running and managing Docker containers.
    • Sharing Docker images and containers.
  • Hands-on Activity: Participants create a simple Docker container for a project.

5. Best Practices and Tools Comparison 

  • Best Practices: Tips for choosing the right tool for your project and ensuring reproducibility.
  • Tools Comparison: Quick comparison of Conda, Virtualenv, Pipenv, and Docker, including when to use each.

Preparation and Requirements:

  • Participants should bring: A laptop with Python installed.
  • Pre-installed Software:
    • Conda (via Anaconda or Miniconda)
    • Docker
    • Pipenv and Virtualenv 

 

Date:  6 November, Wednesday

Time: 13:00- 15:00 (including 15 minute break)

Location: CIT Smitsborg, Room 5431.0060

Date:
Wednesday, November 6, 2024
Time:
1:00pm - 3:00pm
Time Zone:
Central European Time (change)

Registration is required. There are 4 seats available.

Event Organizer

Saikat Chatterjee
Burcu Beygu

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