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Document Python environments #4922

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May 17, 2024
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Document Python environments #4922

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33 changes: 30 additions & 3 deletions doc/sphinx/installation.rst
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Expand Up @@ -84,9 +84,30 @@ are required to be able to compile and use |es|:
Python
|es|'s main user interface relies on Python 3.

We strongly recommend using Python environments to isolate
packages required by |es| from packages installed system-wide.
This can be achieved using venv [7]_, conda [8]_, or any similar tool.
Inside an environment, commands of the form
``sudo apt install python3-numpy python3-scipy``
can be rewritten as ``python3 -m pip install numpy scipy``,
and thus do not require root privileges.

Depending on your needs, you may choose to install all |es|
dependencies inside the environment, or only the subset of
dependencies not already satisfied by your workstation or cluster.
For the exact syntax to create and configure an environment,
please refer to the tool documentation.
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More details and a "getting started with venv and conda" are now available on the GitHub wiki, under section Tooling/Environments.


Cython
Cython is used for connecting the C++ core to Python.

Python environment tools may allow you to install a Python executable
that is more recent than the system-wide Python executable.
Be aware this might lead to compatibility issues if Cython
accidentally picks up the system-wide :file:`Python.h` header file.
In that scenario, you will have to manually adapt the C++ compiler
include paths to find the correct :file:`Python.h` header file.


.. _Installing requirements on Ubuntu Linux:

Expand All @@ -97,9 +118,9 @@ To compile |es| on Ubuntu 24.04 LTS, install the following dependencies:

.. code-block:: bash

sudo apt install build-essential cmake cython3 python3-pip python3-numpy \
libboost-all-dev openmpi-common fftw3-dev libfftw3-mpi-dev libhdf5-dev libhdf5-openmpi-dev \
python3-scipy python3-opengl libgsl-dev freeglut3
sudo apt install build-essential cmake cython3 python3-dev openmpi-bin \
libboost-all-dev fftw3-dev libfftw3-mpi-dev libhdf5-dev libhdf5-openmpi-dev \
python3-pip python3-numpy python3-scipy python3-opengl libgsl-dev freeglut3

Optionally the ccmake utility can be installed for easier configuration:

Expand Down Expand Up @@ -999,3 +1020,9 @@ ____

.. [6]
https://docs.nvidia.com/cuda/

.. [7]
https://docs.python.org/3/library/venv.html

.. [8]
https://conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html