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=====================
Installing MDAnalysis
=====================
Quick installation instructions
===============================
https://www.mdanalysis.org/pages/installation_quick_start/
From the Python package index (pip)
-----------------------------------
To install the latest stable release with pip
http://www.pip-installer.org/en/latest/index.html do::
pip install --upgrade MDAnalysis
To run the test cases and examples, also install the unit tests (about 20 MiB in size)::
pip install --upgrade MDAnalysisTests
python -c 'import MDAnalysisTests; MDAnalysisTests.run()'
(The tests can take a long time to run.)
With conda
----------
To install the lastest stable release with conda
http://conda.pydata.org/docs/ do::
conda config --add channels MDAnalysis
conda install mdanalysis
To upgrade to the latest stable release.
conda update mdanalysis
The conda packages currently only support serial calculations. If you
plan to use the parallel OpenMP algorithms you need to install
MDAnalysis with pip and have a working OpenMP installation.
Help
====
If you have any problems please read through the files INSTALL (this
file) and README and check the MDAnalysis project pages at
https://www.mdanalysis.org
in particular https://github.com/MDAnalysis/mdanalysis/wiki/Install
and related pages.
You can always ask questions on GitHub Discussions:
https://github.com/MDAnalysis/mdanalysis/discussions/categories/installation
People there are very happy to help. When posting please remember to
mention the release of MDAnalysis you are trying to install (e.g. "tar
file MDAnalysis-0.7.3 from website" or "commit deadbee1"), all the
commands that you typed to install the package, and the full output
(typically right from ``python setup.py build``). You should also
mention your operating system (e.g. Ubuntu 14.04) and Python version
(output from ``python --version``) so that we can better diagnose the
problem.
Installing from source
======================
Source code is available at https://github.com/MDAnalysis/mdanalysis
See https://github.com/MDAnalysis/mdanalysis/wiki/Install for further instructions.
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