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Sdg23 update installation quick start page #440

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2 changes: 1 addition & 1 deletion _posts/2024-05-27-gsoc-outreachy-students.md
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Expand Up @@ -78,7 +78,7 @@ Adetutu is on GitHub as @adetutudeborah, and on Twitter as [@adetutuoluwa2](http
She will be documenting her internship journey on her [Medium blog](https://medium.com/@adetutuoluwasanmi). Feel free to check it out for updates on her experience!


— @BradyAJohnston @cbouy @hmacdope @IAlibay @jennaswa @micaela-matta @orbeckst @richardgowers @xhgchen @yuxuanzhuang (mentors and org admins)
— @BradyAJohnston @cbouy @hmacdope @IAlibay @jennaswa @micaela-matta @orbeckst @richardjgowers @xhgchen @yuxuanzhuang (mentors and org admins)

[gsoc]: https://summerofcode.withgoogle.com
[outreachy]: https://www.outreachy.org/
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2 changes: 1 addition & 1 deletion _posts/2024-08-30-gsoc2024-final-sm.md
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Expand Up @@ -22,7 +22,7 @@ We have tremendously enjoyed working with Lawson and Valerij and wish them the b

We also thank [Google](https://opensource.google/) for supporting the students and continuing to support MDAnalysis as a GSoC organization since 2016.

— @cbouy @hmacdope @IAlibay @jennaswa @richardgowers @xhgchen @yuxuanzhuang (mentors and org admins)
— @cbouy @hmacdope @IAlibay @jennaswa @richardjgowers @xhgchen @yuxuanzhuang (mentors and org admins)

[blog-lawson]: {{ site.baseurl }}{% post_url 2024-08-03-gsoc2024_woods %}
[blog-valerij]: {{ site.baseurl }}{% post_url 2024-08-02-gsoc2024_talagayev %}
2 changes: 1 addition & 1 deletion _posts/2025-02-11-gsoc2024-final-lg.md
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Expand Up @@ -23,6 +23,6 @@ In the meantime, we welcome you to start [learning MDAnalysis](https://www.mdana

Please note that in addition to code contributions, we highly value [participating in the MDAnalysis community](https://www.mdanalysis.org/#participating) in other ways, including submitting [general feedback](https://www.mdanalysis.org/about/#feedback) and [issues via the GitHub issue tracker](https://github.com/MDAnalysis/mdanalysis/issues) and/or engaging in discussions on the MDAnalysis [Discord server](https://discord.com/channels/807348386012987462/) (join using [this invite link](https://discord.com/invite/fXTSfDJyxE)) and [GitHub Discussions forum](https://github.com/MDAnalysis/mdanalysis/discussions).

— @cbouy @hmacdope @IAlibay @jennaswa @richardgowers @xhgchen @yuxuanzhuang (GSoC 2024 mentors and org admins)
— @cbouy @hmacdope @IAlibay @jennaswa @richardjgowers @xhgchen @yuxuanzhuang (GSoC 2024 mentors and org admins)

[blog-luna]: {{ site.baseurl }}{% post_url 2025-02-09-Luna-Morrow-Final-Submission %}
2 changes: 1 addition & 1 deletion about.md
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Expand Up @@ -206,7 +206,7 @@ The following contributors were sponsored to work on MDAnalysis through the [Goo
- **2024**: @ljwoods2, @lunamorrow, @talagayev
- **2023**: @marinegor, @xhgchen
- **2022**: @aya9aladdin, @BFedder
- **2021**: @ojeda-e, @orioncohen
- **2021**: @ojeda-e, @orionarcher
- **2020**: @cbouy, @hmacdope, @yuxuanzhuang
- **2019**: @NinadBhat
- **2018**: @ayushsuhane, @davidercruz
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2 changes: 1 addition & 1 deletion index.md
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Expand Up @@ -17,7 +17,7 @@ suitable for visualization or native analysis tools.
MDAnalysis allows one to read particle-based trajectories (including
individual coordinate frames such as biomolecules in the PDB format)
and access the atomic coordinates through
[NumPy](https://numpy.scipy.org/) arrays. This provides a flexible and
[NumPy](https://numpy.org/) arrays. This provides a flexible and
relatively fast framework for complex analysis tasks. In addition,
powerful atom
[selection commands]({{site.pypi.docs}}/documentation_pages/selections.html)
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49 changes: 18 additions & 31 deletions pages/installation_quick_start.md
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Expand Up @@ -4,65 +4,52 @@ title: Installation Quick Start
order: 2
---

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][].

## Conda ##
## Mamba ##
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Should probably still contain the word "conda" because that's what people know.

Suggested change
## Mamba ##
## mamba/conda ##


If you don't have [conda][] installed yet, follow the [installation
instructions for conda][].

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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.

To install the lastest stable release with [conda][conda] do:

{% highlight bash %}
conda config --add channels conda-forge
conda install mdanalysis
{% endhighlight %}

To upgrade to the latest stable release.
If you have [conda][] or [mamba][] installed, run:

{% highlight bash %}
conda update mdanalysis
conda install -c conda-forge mamba
mamba install -c conda-forge mdanalysis
{% endhighlight %}

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:

{% highlight bash %}
conda install MDAnalysisTests
mamba install -c conda-forge MDAnalysisTests
{% endhighlight %}

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
Comment on lines +25 to +26
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Is this still true? @hmacdope ?

a working [OpenMP][] installation.

## Python Package Index ##

To install the latest stable release with
[pip][pip] (which should be available in all Python installations) do:
To install with [pip][] run:

{% highlight bash %}
pip install --upgrade MDAnalysis
{% endhighlight %}

To [run the test cases][run_tests] and examples, also install the unit tests (about 53 MiB
in size):
To install [test cases][] run:

{% highlight bash %}
pip install --upgrade MDAnalysisTests
{% endhighlight %}

## More ##

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).

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}}).

[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
2 changes: 1 addition & 1 deletion pages/learning_MDAnalysis.md
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Expand Up @@ -69,7 +69,7 @@ to use it in a research context.
@lilyminium's talk at [PyCon AU 2019](https://2019.pycon-au.org/) *The universe as balls and
springs: molecular dynamics in Python* gives a general introduction to
molecular dynamics and shows how to use MDAnalysis (and other tools
such as [OpenMM](http://openmm.org/), [nglviewer](nglviewer.org/nglview/latest/),
such as [OpenMM](http://openmm.org/), [nglviewer](https://nglviewer.org/nglview/latest/),
[pandas](https://pandas.pydata.org/),
[plotly](https://pandas.pydata.org/)). If you want to better
understand what MD simulations are and how scientists can make use of
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2 changes: 1 addition & 1 deletion pages/mdakits.md
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Expand Up @@ -19,7 +19,7 @@ MDAnalysis. Whilst we cannot guarantee the completeness of the MDAKit's test cov


*If you have your own MDAKit and you would like to add it to the
registry, please look at the [contribution instructions](https://mdakits.mdanalysis.org/add.html)
registry, please look at the contribution [instructions](https://mdakits.mdanalysis.org/makingakit.html)
or share it on [{{ site.mailinglists.discussion.name }}]({{ site.mailinglists.discussion.url }})!*


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