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Sdg23 update installation quick start page #440
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@@ -4,65 +4,52 @@ title: Installation Quick Start | |
order: 2 | ||
--- | ||
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MDAnalysis offers two methods to install the released version. For most | ||
users we recommend the [*Conda*](#conda) installation method. | ||
MDAnalysis can be installed using [mamba][] (recommended) or [pip][]. | ||
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## Conda ## | ||
## Mamba ## | ||
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If you don't have [conda][] installed yet, follow the [installation | ||
instructions for conda][]. | ||
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There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. I think we should still have links to installing mamba/miniforge (see MDAnalysis/UserGuide#361 (comment) ) and conda. There are people who don't use it every day. It's important to give some minimal guidance. It's also a bit odd to recommend mamba but requiring people to somehow have conda already installed. |
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To install the lastest stable release with [conda][conda] do: | ||
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{% highlight bash %} | ||
conda config --add channels conda-forge | ||
conda install mdanalysis | ||
{% endhighlight %} | ||
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To upgrade to the latest stable release. | ||
If you have [conda][] or [mamba][] installed, run: | ||
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{% highlight bash %} | ||
conda update mdanalysis | ||
conda install -c conda-forge mamba | ||
mamba install -c conda-forge mdanalysis | ||
{% endhighlight %} | ||
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To [run the test cases][run_tests] and examples, also install the unit tests (about 53 MiB | ||
in size): | ||
To install [test cases][] cases (about 90 MB | ||
in size) run: | ||
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{% highlight bash %} | ||
conda install MDAnalysisTests | ||
mamba install -c conda-forge MDAnalysisTests | ||
{% endhighlight %} | ||
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The conda packages currently only support serial calculations. If you | ||
plan to use the parallel [OpenMP][OpenMP] algorithms you need to | ||
install MDAnalysis from the [Python Package | ||
Index](#python-package-index) and have a working OpenMP installation. | ||
MDAnalysis via [mamba][] supports only serial calculations. | ||
For OpenMP-based parallelism, use [pip][] and ensure you have | ||
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There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Is this still true? @hmacdope ? |
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a working [OpenMP][] installation. | ||
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## Python Package Index ## | ||
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To install the latest stable release with | ||
[pip][pip] (which should be available in all Python installations) do: | ||
To install with [pip][] run: | ||
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{% highlight bash %} | ||
pip install --upgrade MDAnalysis | ||
{% endhighlight %} | ||
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To [run the test cases][run_tests] and examples, also install the unit tests (about 53 MiB | ||
in size): | ||
To install [test cases][] run: | ||
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{% highlight bash %} | ||
pip install --upgrade MDAnalysisTests | ||
{% endhighlight %} | ||
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## More ## | ||
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For more details on installation and alternative ways to install MDAnalysis see [Installing | ||
MDAnalysis in the {{ site.docs.userguide.name }}]({{ site.docs.userguide.url }}/stable/installation.html). | ||
For detailed installation methods, including setting up [mamba][] from scratch, see the [Installation instuctions in the {{ site.docs.userguide.name }}]({{ site.docs.userguide.url }}/stable/installation.html). | ||
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If you have questions with the installation, please ask on | ||
If you have questions regarding the installation, please ask on | ||
[{{site.mailinglists.discussion.name}}]({{site.mailinglists.discussion.url}}). | ||
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[pip]: https://pip.pypa.io/en/latest/ | ||
[mamba]:https://anaconda.org/conda-forge/mamba | ||
[conda]: https://conda.io/ | ||
[installation instructions for conda]: https://conda.io/projects/conda/en/latest/user-guide/install/index.html | ||
[installation instuctions]: https://mamba.readthedocs.io/en/latest/installation/mamba-installation.html | ||
[OpenMP]: https://www.openmp.org/ | ||
[run_tests]: {{ site.docs.userguide.url }}/stable/installation.html#testing | ||
[test cases]: {{ site.docs.userguide.url }}/stable/installation.html#testing |
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Should probably still contain the word "conda" because that's what people know.