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Creating a Conda Environment for Future-Proofing Jupyter Notebooks to Support Computational Reproducibility
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Created: Feb 10, 2026 at 7:58 p.m. (UTC)
Last updated: Feb 25, 2026 at 4:27 p.m. (UTC)
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Abstract

Computational reproducibility requires that a Jupyter notebook produce consistent results regardless of where it is executed—whether on a local machine, within JupyterHub environments such as CIROH-2i2c and CUAHSI JupyterHub, or on another supported platform. In practice, notebooks developed in one environment often fail in another due to differences in Python versions, missing or incompatible packages, or environment-specific permission constraints. Even minor version mismatches can cause code to break or generate inconsistent outputs.

Future-proofing a notebook involves defining and preserving a controlled software environment that can be recreated reliably over time. One approach is to create a custom Conda environment that explicitly captures all required dependencies, ensuring consistent execution across computing environments.

This HydroShare resource provides a structured, notebook-driven workflow for creating and managing such a custom Conda environment for notebooks launched through HydroShare’s “Open With” JupyterHub environments. The core notebook, CondaEnvironmentSetup.ipynb, guides users through defining the environment name and specifying dependencies in an accompanying environment.yml file. It then invokes supporting Bash scripts to automate Conda environment creation, Jupyter kernel registration, and optional cleanup.

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Content

readme.md

Creating a Conda Environment for Future-Proofing Jupyter Notebooks to Support Computational Reproducibility

This HydroShare resource provides a reproducible, notebook-driven workflow for creating and managing a custom Conda environment. The goal of this resource is to help users future-proof their notebooks by capturing required dependencies in a Conda environment that can be recreated and reused consistently.

This resource is configured for use with JupyterHub platforms such as CUAHSI and CIROH-2i2c JupyterHub linked to HydroShare. To see how this resource works, use HydroShare's "Open With" to open it on one of these platforms. Once in the platform, work through the CondaEnvironmentSetup.ipynb notebook as described below.

📁 Resource Contents

This resource includes the following files:

  • CondaEnvironmentSetup.ipynb
    The main notebook users should follow. It provides step-by-step instructions for creating, registering, and managing a custom Conda environment as a Jupyter kernel.

  • environment.yml
    Defines the Python packages and versions required for the Conda environment. This file should be updated by users to match their environment requirements.

  • setup_jupyterhub_conda_env.sh
    A shell script invoked by the notebook to create the Conda environment from environment.yml and register it as a Jupyter kernel. Users do not need to edit this script directly.

  • delete_jupyterhub_conda_env.sh
    A shell script invoked by the notebook to remove an existing Conda environment and its associated Jupyter kernel when needed. Users do not need to edit this script directly.

  • readme.md
    This file, which describes the content of this resource.

🚀 How to Use This Resource

  1. Launch this resource in a HydroShare-supported JupyterHub environment using Open With.
  2. Open the CondaEnvironmentSetup.ipynb notebook.
  3. Define or update the required inputs:
    • Conda environment name: Specify the desired name of the Conda environment in CondaEnvironmentSetup.ipynb.
    • Environment specification (environment.yml): Edit this file to include the Python packages and versions required for the environment to be created.
  4. Follow the instructions on the CondaEnvironmentSetup.ipynb notebook to create and register the environment as a Jupyter kernel.
  5. Switch your notebook kernel to the newly created environment and begin working.

If dependency requirements change, update environment.yml and rerun the setup steps to recreate the environment.

💡 Notes

  • This resource is designed for Jupyter notebooks launched through HydroShare’s JupyterHub environments and assumes standard Conda and Bash support provided by those platforms.
  • Users should list all required dependencies in environment.yml rather than installing packages interactively within notebooks.
  • When switching kernels, the newly created Conda environment may not appear immediately; restarting the kernel can refresh the available kernel list.

👥 Intended Audience

This resource is intended for researchers, students, and practitioners who share and run Jupyter notebooks within HydroShare and want to improve reproducibility and long-term usability of their computational workflows.

📧 Contact

For questions or suggestions, please contact:

Credits

Funding Agencies

This resource was created using funding from the following sources:
Agency Name Award Title Award Number
National Oceanic and Atmospheric Administration (NOAA), University of Alabama CIROH: Enabling collaboration through data and model sharing with CUAHSI HydroShare NA22NWS4320003 to University of Alabama, subaward A23-0266-S001 to Utah State University
National Science Foundation HDR Institute: Geospatial Understanding through an Integrative Discovery Environment 2118329

How to Cite

Salehabadi, H., D. Tarboton, P. Dash (2026). Creating a Conda Environment for Future-Proofing Jupyter Notebooks to Support Computational Reproducibility, HydroShare, http://www.hydroshare.org/resource/1c5fd6dd6b0c4fb4b5f65cce35550a38

This resource is shared under the Creative Commons Attribution CC BY.

 http://creativecommons.org/licenses/by/4.0/
CC-BY

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