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Removed duplicate installation instructions from API Docs #4927
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orbeckst
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Mar 14, 2025
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ad13bd9
Removed duplicate installation instructions from API Docs
namiroues dd2feb0
Address PR review comments
namiroues 8765d11
clear index page-installation instructions in docs and address review…
namiroues 6aac733
address review comments
namiroues 9034921
Merge branch 'develop' into sdg23-cleanup-api-docs
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| Original file line number | Diff line number | Diff line change |
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@@ -22,13 +22,13 @@ most of these formats, too, together with atom selections for use in | |
| Gromacs_, CHARMM_, VMD_ and PyMol_ (see :ref:`Selection exporters`). | ||
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| It allows one to read molecular dynamics trajectories and access the | ||
| atomic coordinates through NumPy_ arrays. This provides a flexible and | ||
| atomic coordinates through `NumPy`_ arrays. This provides a flexible and | ||
| relatively fast framework for complex analysis tasks. Fairly complete | ||
| atom :ref:`selection-commands-label` are implemented. Trajectories can | ||
| also be manipulated (for instance, fit to a reference structure) and | ||
| written out in a range of formats. | ||
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| .. _`www.mdanalysis.org`: https://www.mdanalysis.org | ||
| .. _www.mdanalysis.org: https://www.mdanalysis.org | ||
| .. _NumPy: https://numpy.org/ | ||
| .. _CHARMM: http://www.charmm.org/ | ||
| .. _Amber: http://ambermd.org/ | ||
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@@ -48,100 +48,34 @@ Getting involved | |
| Please report **bugs** or **enhancement requests** through the `Issue | ||
| Tracker`_. Questions can also be asked on the `GitHub Discussions`_. | ||
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| The MDAnalysis community subscribes to a `Code of Conduct`_ that all community | ||
| members agree and adhere to --- please read it. | ||
| The MDAnalysis community follows a `Code of Conduct`_ that all members are expected to adhere to. | ||
| Please take a moment to read it. | ||
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| .. _Issue Tracker: https://github.com/MDAnalysis/mdanalysis/issues | ||
| .. _`GitHub Discussions`: | ||
| https://github.com/MDAnalysis/mdanalysis/discussions | ||
| .. _`Code of Conduct`: https://www.mdanalysis.org/pages/conduct/ | ||
| .. _GitHub Discussions: https://github.com/MDAnalysis/mdanalysis/discussions | ||
| .. _Code of Conduct: https://www.mdanalysis.org/pages/conduct/ | ||
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| .. _installation-instructions: | ||
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| User Guide | ||
| ========== | ||
| Installing and using MDAnalysis | ||
| =============================== | ||
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| The MDAnalysis `User Guide`_ provides comprehensive information on how to | ||
| use the library. We would recommend that new users have a look at the | ||
| The MDAnalysis `User Guide`_ provides comprehensive information on how to `install`_ | ||
| and use the library. We would recommend that new users have a look at the | ||
| `Quick Start Guide`_. The User Guide also has a set of `examples`_ on how to | ||
| use the MDAnalysis library which may be of interest. | ||
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| .. _`User Guide`: https://userguide.mdanalysis.org/stable/index.html | ||
| .. _`Quick Start Guide`: https://userguide.mdanalysis.org/stable/examples/quickstart.html | ||
| .. _`examples`: https://userguide.mdanalysis.org/stable/examples/README.html | ||
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| .. _installation-instructions: | ||
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| Installing MDAnalysis | ||
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| ===================== | ||
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| The easiest approach to `install the latest release`_ is to use a package that | ||
| can be installed either with conda_ or pip_. | ||
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| conda | ||
| ----- | ||
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| First installation with conda_: | ||
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| .. code-block:: bash | ||
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| conda config --add channels conda-forge | ||
| conda install mdanalysis | ||
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| which will automatically install a *full set of dependencies*. | ||
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| To upgrade later: | ||
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| .. code-block:: bash | ||
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| conda update mdanalysis | ||
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| pip | ||
| --- | ||
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| Installation with `pip`_ and a *minimal set of dependencies*: | ||
| .. _User Guide: https://userguide.mdanalysis.org/stable/index.html | ||
| .. _Quick Start Guide: https://userguide.mdanalysis.org/stable/examples/quickstart.html | ||
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| .. _examples: https://userguide.mdanalysis.org/stable/examples/README.html | ||
| .. _install: https://userguide.mdanalysis.org/stable/installation.html | ||
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| .. code-block:: bash | ||
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| pip install --upgrade MDAnalysis | ||
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| To install with a *full set of dependencies* (which includes everything needed | ||
| for :mod:`MDAnalysis.analysis`), add the ``[analysis]`` tag: | ||
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| .. code-block:: bash | ||
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| pip install --upgrade MDAnalysis[analysis] | ||
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| Tests | ||
| ----- | ||
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| If you want to `run the tests`_ or use example files to follow some of the | ||
| examples in the documentation or the tutorials_, also install the | ||
| ``MDAnalysisTests`` package: | ||
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| .. code-block:: bash | ||
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| conda install mdanalysistests # with conda | ||
| pip install --upgrade MDAnalysisTests # with pip | ||
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| .. _install the latest release: | ||
| https://userguide.mdanalysis.org/stable/installation.html#installation | ||
| .. _pip: | ||
| http://www.pip-installer.org/en/latest/index.html | ||
| .. _conda: | ||
| http://conda.pydata.org/docs/ | ||
| .. _run the tests: https://github.com/MDAnalysis/mdanalysis/wiki/UnitTests | ||
| .. _tutorials: https://www.mdanalysis.org/pages/learning_MDAnalysis/ | ||
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| Source Code | ||
| Source code | ||
| =========== | ||
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| **Source code** is available from | ||
| https://github.com/MDAnalysis/mdanalysis/ and is packaged under the | ||
| `Lesser GNU Public Licence, version 3 or any later version`_. Individual components | ||
| The MDAnalysis source code is available on https://github.com/MDAnalysis/mdanalysis/ and is | ||
| distributed under the `Lesser GNU Public Licence, version 3 or any later version`_. Individual components | ||
| of the source code are provided under LGPL compatible licenses, details can be | ||
| found in the `MDAnalysis license file`_. Obtain the sources with `git`_. | ||
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@@ -151,14 +85,12 @@ found in the `MDAnalysis license file`_. Obtain the sources with `git`_. | |
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| The `User Guide`_ provides more information on how to | ||
| `install the development version`_ of MDAnalysis. | ||
| `install from source`_. | ||
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| .. _Lesser GNU Public Licence, version 3 or any later version: | ||
| https://www.gnu.org/licenses/lgpl-3.0.en.html | ||
| .. _MDAnalysis license file: | ||
| https://github.com/MDAnalysis/mdanalysis/blob/develop/LICENSE | ||
| .. _Lesser GNU Public Licence, version 3 or any later version: https://www.gnu.org/licenses/lgpl-3.0.en.html | ||
| .. _MDAnalysis license file: https://github.com/MDAnalysis/mdanalysis/blob/develop/LICENSE | ||
| .. _git: https://git-scm.com/ | ||
| .. _`install the development version`: https://userguide.mdanalysis.org/stable/installation.html#development-versions | ||
| .. _install from source: https://userguide.mdanalysis.org/stable/installation.html | ||
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| Citation | ||
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@@ -167,14 +99,11 @@ Citation | |
| When using MDAnalysis in published work, please cite | ||
| [Michaud-Agrawal2011]_ and [Gowers2016]_. | ||
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| MDAnalysis also contains specific algorithms and whole analysis | ||
| modules whose algorithms have also been published in the scientific | ||
| literature. Please make sure to also reference any | ||
| :ref:`references-components` in published work. | ||
| MDAnalysis includes specific algorithms and analysis modules, some of which have been published in the scientific literature. | ||
| Please ensure you cite the relevant :ref:`references-components` when using these features in your research. | ||
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| Thank you! | ||
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| .. Hide the contents from the front page because they are already in | ||
| .. the side bar in the Alabaster sphinx style; requires Alabaster | ||
| .. config sidebar_includehidden=True (default) | ||
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@@ -185,7 +114,7 @@ Thank you! | |
| .. toctree:: | ||
| :maxdepth: 4 | ||
| :caption: Documentation | ||
| :numbered: | ||
| :numbered: | ||
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Member
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. extra space, delete |
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| :hidden: | ||
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| ./documentation_pages/overview | ||
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@@ -214,3 +143,4 @@ Indices and tables | |
| * :ref:`genindex` | ||
| * :ref:`modindex` | ||
| * :ref:`search` | ||
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