diff --git a/.doctrees/environment.pickle b/.doctrees/environment.pickle index 28e2e27..3d84deb 100644 Binary files a/.doctrees/environment.pickle and b/.doctrees/environment.pickle differ diff --git a/.doctrees/getting_started.doctree b/.doctrees/getting_started.doctree index e2cc16d..fa7e620 100644 Binary files a/.doctrees/getting_started.doctree and b/.doctrees/getting_started.doctree differ diff --git a/_sources/getting_started.rst.txt b/_sources/getting_started.rst.txt index 0b4bb66..f73567e 100644 --- a/_sources/getting_started.rst.txt +++ b/_sources/getting_started.rst.txt @@ -1,10 +1,49 @@ Getting Started =============== +Install the :mod:`mdaencore` package by any of the methods described below: + Installation ------------ -`mdaencore` is currently only installable from source. +From conda-forge +................ + +Install `mdaencore from the conda-forge channel`_ +by first adding ``conda-forge`` to your channels with: + +.. code-block:: sh + + conda config --add channels conda-forge + conda config --set channel_priority strict + +Once the ``conda-forge`` channel has been enabled, ``mdaencore`` can be installed with :program:`conda`: + +.. code-block:: sh + + conda install mdaencore + +or with :program:`mamba` (if you have it installed): + +.. code-block:: sh + + mamba install mdaencore + + +From the Python Package Index PyPi +.................................. + +Install `mdaencore from PyPi`_ with :program:`pip`: + +.. code-block:: sh + + pip install mdaencore + + +From source +........... + +:mod:`mdaencore` can also be installed from `source`_. First download and navigate to the source code from GitHub with .. code-block:: sh @@ -22,4 +61,24 @@ For full functionality of the :func:`mdaencore.fit_clusters` function, also inst .. code-block:: sh - pip install scikit-learn \ No newline at end of file + pip install scikit-learn + +Testing your installation +------------------------- +Install ``pytest`` and the ``mdanalysistests`` package (either with :program:`conda` or :program:`pip`). +Run the tests with + +.. code-block:: sh + + pytest -v --pyargs mdaencore.tests + +You should see the tests running and finishing with no failures. It may look similar to the following:: + + ============================= 57 passed, 2 xpassed, 11 warnings in 24.48s ============================== + +(The exact numbers may differ but there should be no failed tests.) + + +.. _`mdaencore from the conda-forge channel`: https://anaconda.org/conda-forge/mdaencore +.. _`mdaencore from PyPi`: https://pypi.org/project/mdaencore/ +.. _source: https://github.com/MDAnalysis/mdaencore/ diff --git a/getting_started.html b/getting_started.html index f09cfe4..ab63852 100644 --- a/getting_started.html +++ b/getting_started.html @@ -80,7 +80,13 @@
Install the mdaencore
package by any of the methods described below:
mdaencore is currently only installable from source.
+ Install mdaencore from the conda-forge channel
+by first adding Once the or with mamba (if you have it installed): Install mdaencore from PyPi with pip: Install You should see the tests running and finishing with no failures. It may look similar to the following: (The exact numbers may differ but there should be no failed tests.)From conda-forge
+conda-forge
to your channels with:conda config --add channels conda-forge
+conda config --set channel_priority strict
+
conda-forge
channel has been enabled, mdaencore
can be installed with conda:conda install mdaencore
+
mamba install mdaencore
+
From the Python Package Index PyPi
+pip install mdaencore
+
From source
+mdaencore
can also be installed from source.
First download and navigate to the source code from GitHub withgit clone --depth=1 https://github.com/MDAnalysis/mdaencore.git
cd mdaencore
@@ -130,6 +163,20 @@
Installation
+
Testing your installation
+pytest
and the mdanalysistests
package (either with conda or pip).
+Run the tests withpytest -v --pyargs mdaencore.tests
+
============================= 57 passed, 2 xpassed, 11 warnings in 24.48s ==============================
+