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Merge branch 'python' into array_tools
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kodiakhq[bot] committed Sep 17, 2021
2 parents 0ddd02d + 00e5691 commit ddb0bc6
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29 changes: 26 additions & 3 deletions doc/sphinx/installation.rst
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Expand Up @@ -74,6 +74,7 @@ To compile |es| on Ubuntu 20.04 LTS, install the following dependencies:
sudo apt install build-essential cmake cython3 python3-numpy \
libboost-all-dev openmpi-common fftw3-dev libhdf5-dev libhdf5-openmpi-dev \
python3-opengl libgsl-dev
pip3 install --user 'scipy>=1.4.0'
Optionally the ccmake utility can be installed for easier configuration:

Expand All @@ -87,9 +88,8 @@ are required:
.. code-block:: bash
sudo apt install python3-matplotlib python3-pint ipython3 jupyter-notebook
pip3 install --user 'jupyter_contrib_nbextensions==0.5.1' 'python3-scipy>=1.4.0' \
'sphinx>=1.6.7,!=2.1.0,!=3.0.0' 'sphinxcontrib-bibtex>=0.3.5' \
'MDAnalysis>=1.0.0'
pip3 install --user 'jupyter_contrib_nbextensions==0.5.1' 'MDAnalysis>=1.0.0' \
'sphinx>=1.6.7,!=2.1.0,!=3.0.0' 'sphinxcontrib-bibtex>=0.3.5'
jupyter contrib nbextension install --user
jupyter nbextension enable rubberband/main
jupyter nbextension enable exercise2/main
Expand Down Expand Up @@ -122,6 +122,29 @@ required to compile |es| on other Linux distributions:
* `Debian <https://github.com/espressomd/docker/blob/master/docker/Dockerfile-debian>`_
* `OpenSUSE <https://github.com/espressomd/docker/blob/master/docker/Dockerfile-opensuse>`_

.. _Installing requirements on Windows via WSL:

Installing requirements on Windows via WSL
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

To run |es| on Windows, use the Linux subsystem. For that you need to

* follow `these instructions <https://docs.microsoft.com/en-us/windows/wsl/install-win10>`__ to install Ubuntu
* start Ubuntu (or open an Ubuntu tab in `Windows Terminal <https://www.microsoft.com/en-us/p/windows-terminal/9n0dx20hk701>`_ )
* execute

.. code-block:: bash
sudo apt update
sudo apt install python3-pip
to prepare the installation of dependencies

* optional step: If you have a NVIDIA graphics card available and want to make
use of |es|'s GPU acceleration, follow `these instructions <https://docs.nvidia.com/cuda/wsl-user-guide/index.html#ch03a-setting-up-cuda>`__
to set up CUDA.
* follow the instructions for :ref:`Installing requirements on Ubuntu Linux`


.. _Installing requirements on Mac OS X:

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