@@ -73,9 +73,30 @@ are required to be able to compile and use |es|:
7373 Python
7474 |es |'s main user interface relies on Python 3.
7575
76+ We strongly recommend using Python environments to isolate
77+ packages required by |es | from packages installed system-wide.
78+ This can be achieved using venv [7 ]_, conda [8 ]_, or any similar tool.
79+ Inside an environment, commands of the form
80+ ``sudo apt install python3-numpy python3-scipy ``
81+ can be rewritten as ``python3 -m pip install numpy scipy ``,
82+ and thus do not require root privileges.
83+
84+ Depending on your needs, you may choose to install all |es |
85+ dependencies inside the environment, or only the subset of
86+ dependencies not already satisfied by your workstation or cluster.
87+ For the exact syntax to create and configure an environment,
88+ please refer to the tool documentation.
89+
7690 Cython
7791 Cython is used for connecting the C++ core to Python.
7892
93+ Python environment tools may allow you to install a Python executable
94+ that is more recent than the system-wide Python executable.
95+ Be aware this might lead to compatibility issues if Cython
96+ accidentally picks up the system-wide :file: `Python.h ` header file.
97+ In that scenario, you will have to manually adapt the C++ compiler
98+ include paths to find the correct :file: `Python.h ` header file.
99+
79100
80101.. _Installing requirements on Ubuntu Linux :
81102
@@ -86,9 +107,9 @@ To compile |es| on Ubuntu 22.04 LTS, install the following dependencies:
86107
87108.. code-block :: bash
88109
89- sudo apt install build-essential cmake cython3 python3-pip python3-numpy \
90- libboost-all-dev openmpi-common fftw3-dev libfftw3-mpi-dev libhdf5-dev libhdf5-openmpi-dev \
91- python3-scipy python3-opengl libgsl-dev freeglut3
110+ sudo apt install build-essential cmake cython3 python3-dev openmpi-bin \
111+ libboost-all-dev fftw3-dev libfftw3-mpi-dev libhdf5-dev libhdf5-openmpi-dev \
112+ python3-pip python3-numpy python3- scipy python3-opengl libgsl-dev freeglut3
92113
93114 Optionally the ccmake utility can be installed for easier configuration:
94115
@@ -971,3 +992,12 @@ ____
971992
972993 .. [5 ]
973994 https://www.fftw.org/
995+
996+ .. [6 ]
997+ https://docs.nvidia.com/cuda/
998+
999+ .. [7 ]
1000+ https://docs.python.org/3/library/venv.html
1001+
1002+ .. [8 ]
1003+ https://conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html
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