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Goal: Understand how Conda’s pip works with a User’s Python Pip pip package Installs.

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Table of Contents
stylenone

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Info

Miniconda does ship with a default version of Python.

Code Block
[salexan5@mblog1 conda]$ cd /project/arcc<project-name>/salexan5<username>/conda
[salexan5@mblog1 conda]$ module purge
[]$ module load miniconda3/24.3.0
[salexan5@mblog1 conda]$ conda create -p py_env
## Package Plan ##
  environment location: /cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env

# To activate this environment, use
#     $ conda activate /cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env

[salexan5@mblog1 conda]$ conda activate /cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env

(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ python --version
Python 3.12.2

(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ which python
/apps/u/opt/linux/miniconda3/24.3.0/bin/python

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  • If a package is not available from conda or Anaconda.org, you may be able to find and install the package via conda-forge or with another package manager like pip.

  • Pip packages do not have all the features of conda packages and we recommend first trying to install any package with conda. If the package is unavailable through conda, try finding and installing it with conda-forge.

  • If you still cannot install the package, you can try installing it with pip. The differences between pip and conda packages cause certain unavoidable limits in compatibility but conda works hard to be as compatible with pip as possible.

  • Note:

    • Both pip and conda are included in Anaconda and Miniconda, so you do not need to install them separately.

    • It is possible to have pip installed outside a conda environment or inside a conda environment.

Note

Not every Python package can be conda install-ed. Tensorflow is only available via pip install.

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Try Installing numpy into our Conda environment

Code Block
(/cluster/medbow/project/arcc/salexan5/conda/py_env) [salexan5@mblog1 conda]$ pipmodule installpurge
numpy[]$ Defaultingmodule to user installation because normal site-packages is not writeable
Requirement already satisfied: numpy in /home/salexan5/.local/lib/python3.12/site-packages (1.26.4)

(load miniconda3/24.3.0
[]$ conda activate /cluster/medbow/project/<project-name>/<username>/conda/py_env
(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ python ~/py_test.py
Python: 3.12.2 | packaged by Anaconda, Inc. | (main, Feb 27 2024, 17:35:02) [GCC 11.2.0]
Numpy: 1.26.4

What’s happened?

Info

Conda’s pip will look under the userbase for existing packages.

In this case ~/.local/lib/python3.12/site-packages/ where it will find the previously installed version of numpy/1.26.4

Confirm what is Currently Installed/Available

Check for conda installed packages:

Code Block
# This list should be empty since we have essentially a blank conda environment
# since we have not conda installed anything.
(/cluster/medbow/project/arcc/salexan5/conda/py_env) [salexan5@mblog1 conda]$ conda list
# packages in environment at /cluster/medbow/project/arcc/salexan5/conda/py_env:
#
# Name                    Version                   Build  Channel

Check for pip installed packages:

Code Block
pip install numpy
Defaulting to user installation because normal site-packages is not writeable
Requirement already satisfied: numpy in /home/<username>/.local/lib/python3.12/site-packages (1.26.4)

(/cluster/medbow/project/<project-name>/<username>/conda/py_env) [salexan5@mblog1 conda]$ python ~/py_test.py
Python: 3.12.2 | packaged by Anaconda, Inc. | (main, Feb 27 2024, 17:35:02) [GCC 11.2.0]
Numpy: 1.26.4

What’s happened?

Info

Conda’s pip will look under the userbase for existing packages.

In this case ~/.local/lib/python3.12/site-packages/ where it will find the previously installed version of numpy/1.26.4

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Confirm what is Currently Installed/Available

Check for conda installed packages:

Code Block
# This list should be empty since we have essentially a blank conda environment
# since we have not conda installed anything.
(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ pipconda list
-v# Packagepackages in environment        at /cluster/medbow/project/<project-name>/<username>/conda/py_env:
#
# Name       Version     Location        Version                   Build  Channel

Check for pip installed packages:

Code Block
(/cluster/medbow/project/<project-name>/<username>/conda/py_env) []$ pip list -v
Package                 Version     Location   Installer
----------------------- ----------- --------                                                      Installer
----------------------- ----------- ------------------------ ---------
anaconda-anon-usage  ------------------------------ ---------
anaconda-anon-usage     0.4.4       /apps/u/opt/linux/miniconda3/24.3.0/lib/python3.12/site-packages conda
archspec                0.2.3       /apps/u/opt/linux/miniconda3/24.3.0/lib/python3.12/site-packages conda
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numpy                   1.26.4      /home/salexan5<username>/.local/lib/python3.12/site-packages               pip
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pip                     23.3.1      /apps/u/opt/linux/miniconda3/24.3.0/lib/python3.12/site-packages
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Code Block
(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ pip install numpy==2.0.0
Defaulting to user installation because normal site-packages is not writeable
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Installing collected packages: numpy
  Attempting uninstall: numpy
    Found existing installation: numpy 1.26.4
    Uninstalling numpy-1.26.4:
      Successfully uninstalled numpy-1.26.4
Successfully installed numpy-2.0.0
(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ pip list -v
Package                 Version     Location                                                         Installer
----------------------- ----------- ---------------------------------------------------------------- ---------
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numpy                   2.0.0       /home/salexan5<username>/.local/lib/python3.12/site-packages               pip
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Note

The numpy package has been updated, but still lives under: ~/.local/lib/python3.12/

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Code Block
(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ echo $CONDA_PREFIX
/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env

(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env_3.12.4) [salexan5@mblog2 conda]$ export PYTHONUSERBASE=$CONDA_PREFIX

(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ pip list -v
Package                 Version  Location                                                                        Installer
----------------------- -------- ------------------------------------------------------------------------------- ---------
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numpy                   2.0.0    /cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env/lib/python3.12/site-packages pip
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Code Block
(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ pwd
/project/arcc<project-name>/salexan5<username>/conda

(/cluster/medbow/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog1 conda]$ ls py_env/lib/python3.12/site-packages/
numpy  numpy-2.0.0.dist-info  numpy.libs

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Note

Starting a new session, notice which version of numpy is being used by our conda environment before and after setting our PYTHONUSERBASE environment variable.

Code Block
[salexan5@mblog2 ~]$ module purge
[]$ module load miniconda3/24.3.0
[salexan5@mblog2 ~]$ conda activate /project/arcc<project-name>/salexan5<username>/conda/py_env
(/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog2 ~]$ pip list -v
Package                 Version     Location                                                         Installer
----------------------- ----------- ---------------------------------------------------------------- ---------
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numpy                   2.0.0       /home/salexan5<username>/.local/lib/python3.12/site-packages               pip
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(/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog2 ~]$ export PYTHONUSERBASE=$CONDA_PREFIX
(/project/arcc<project-name>/salexan5<username>/conda/py_env) [salexan5@mblog2 ~]$ pip list -v
Package                 Version  Location                                                         Installer
----------------------- -------- ---------------------------------------------------------------- ---------
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numpy                   2.0.0    /project/<project-name>/<username>/conda/py_env/lib/python3.12/site-packages    /project/arcc/salexan5/conda/py_env/lib/python3.12/site-packages pip
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Python Pip Installs on the Cluster

 

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pip
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Remember: Conda Environments, Pip Installs and Package Locations

Info

Remember: If you do not set export PYTHONUSERBASE=$CONDA_PREFIX (after the Conda environment has been activated), then pip install will place Python packages under ~/.local/lib/pythonX.Y/site-packages.

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