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Pip Install

What is Pip?

pip is a package manager for Python that is primarily used for installing Python packages from the Python Package Index (PyPI) and other package repositories. It is the default package manager for Python and is commonly used for managing Python libraries and dependencies.

What is Conda?

Conda is a package management tool that is not specific to Python. It is a cross-platform package manager and environment management system that can handle packages written in different programming languages, not just Python. Conda is the dependency system used in Mantid.

Can they be used together?

While it is possible to use pip and Conda together, there are some potential issues and complexities when doing so:

  1. Dependency Conflicts: When you use both pip and Conda in the same environment, there can be conflicts between the installed packages. These conflicts can lead to unexpected behavior and errors.

  2. Package Versions: pip and Conda might have different versions of the same package, and managing which version takes precedence can be challenging.

  3. Environment Isolation: Conda is designed to create isolated environments, which is useful for managing dependencies for different projects. Mixing pip and Conda in the same environment can undermine this isolation.

For these reasons, Mantid does not install any pip dependencies automatically. If you require a PyPi package for your workflow, you can install the package manually. Note that you do so at your own risk.

How to extend Mantid with a Pip install?

There are two ways you can pip install a package for use in Mantid. The first way is via the command line (recommended for IDAaaS users):

# Activate your environment. On IDAaaS you can activate one of the following, depending on which
# specific major version you want to use, or the nightly:
conda activate /opt/mantidworkbench6.7  # Or
conda activate /opt/mantidworkbenchnightly

# Remember to change the <insert_package_name>
pip install <insert_package_name>

The second way is via the Python script editor window in Workbench (recommended for Windows, Linux and MacOS):

import subprocess, sys

# Remember to change the <insert_package_name>
rv = subprocess.run([sys.executable, '-m', 'pip', 'install', '--user', '<insert_package_name>'], capture_output=True)
print(rv.stdout.decode())
print(rv.stderr.decode())

Mantid has to be restarted for the changes to take effect. Please note that the script above requires Python 3.7 or higher.

Category: Concepts