Update installation instructions

README.md

@@ -2,7 +2,7 @@ mdahole2
 ==============================
 [//]: # (Badges)
 
-| **Latest release** | [![Last release tag](https://img.shields.io/github/release-pre/MDAnalysis/mdahole2.svg)](https://github.com/MDAnalysis/mdahole2/releases) ![GitHub commits since latest release (by date) for a branch](https://img.shields.io/github/commits-since/MDAnalysis/mdahole2/latest)  [![Documentation status](https://github.com/MDAnalysis/mdahole2/actions/workflows/docs.yaml/badge.svg?branch=main)](https://github.com/MDAnalysis/mdahole2/actions/workflows/docs.yaml)|
+| **Latest release** | [![Last release tag](https://img.shields.io/github/release-pre/MDAnalysis/mdahole2.svg)](https://github.com/MDAnalysis/mdahole2/releases) ![GitHub commits since latest release (by date) for a branch](https://img.shields.io/github/commits-since/MDAnalysis/mdahole2/latest)  [![Documentation status](https://github.com/MDAnalysis/mdahole2/actions/workflows/docs.yaml/badge.svg?branch=main)](https://www.mdanalysis.org/mdahole2/)|
 | :------ | :------- |
 | **Status** | [![GH Actions Status](https://github.com/MDAnalysis/mdahole2/actions/workflows/gh-ci.yaml/badge.svg)](https://github.com/MDAnalysis/mdahole2/actions?query=branch%3Amain+workflow%3Agh-ci) [![codecov](https://codecov.io/gh/MDAnalysis/mdahole2/branch/main/graph/badge.svg)](https://codecov.io/gh/MDAnalysis/mdahole2/branch/main)|
 | **Community** | [![Powered by MDAnalysis](https://img.shields.io/badge/powered%20by-MDAnalysis-orange.svg?logoWidth=16&logo=data:image/x-icon;base64,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)](https://www.mdanalysis.org) |
@@ -13,16 +13,36 @@ mdahole2 is bound by a [Code of Conduct](https://github.com/MDAnalysis/mdahole2/
 
 ### Installation
 
+From conda:
+```
+conda install conda-forge::mdahole2
+```
+
+In case you want to use an already installed version of [hole2](https://www.holeprogram.org/) built from [source](https://github.com/osmart/hole2) or by installing it from conda (`conda install conda-forge:: hole2`), you can use a version without `hole2` as dependency:
+```
+conda install conda-forge::mdahole2-base
+```
+
+Or install from pip:
+```
+pip install mdahole2
+
+```
+
+Note that `mdahole2` is only supported on Linux and macOS.
+
+#### From source
+
 To build `mdahole2` from source,
 we highly recommend using virtual environments.
 If possible, we strongly recommend that you use
 [Anaconda](https://docs.conda.io/en/latest/) as your package manager.
 Below we provide instructions both for `conda` and
 for `pip`.
 
-Note that `mdahole2` is only supported on Linux and macOS.
 
-#### With conda
+
+##### With conda
 
 Ensure that you have [conda](https://docs.conda.io/projects/conda/en/latest/user-guide/install/index.html) installed.
 
@@ -57,7 +77,7 @@ And when you are finished, you can exit the virtual environment with:
 conda deactivate
 ```
 
-#### With pip
+##### With pip
 
 To build the package from source, run:
 

docs/source/getting_started.rst

@@ -11,8 +11,37 @@ Documentation is hosted on `GitHub Pages`_.
 
 .. _`GitHub Pages`: https://www.mdanalysis.org/mdahole2/
 
-Download source code
-~~~~~~~~~~~~~~~~~~~~
+Installation 
+~~~~~~~~~~~~~~~~~~~~~~
+
+``mdahole2`` can be installed in several ways:
+
+From conda
+----------
+
+The recommended way to install ``mdahole2`` is through conda:
+
+.. code:: bash
+
+    conda install conda-forge::mdahole2
+
+If you already have ``hole2`` installed and want to use that version, you can install ``mdahole2`` without the ``hole2`` dependency:
+
+.. code:: bash
+
+    conda install conda-forge::mdahole2-base
+
+From pip
+--------
+
+You can also install ``mdahole2`` using pip:
+
+.. code:: bash
+
+    pip install mdahole2
+
+Download and Build source code
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
 The ``mdahole2`` source code is hosted on GitHub_ and can be downloaded with
 
@@ -28,23 +57,30 @@ with an SSH key, or with
 
 .. _GitHub: https://github.com/MDAnalysis/mdahole2
 
-Build and installation
-~~~~~~~~~~~~~~~~~~~~~~
+To build ``mdahole2`` from source, we highly recommend using virtual environments, preferably with `Anaconda`_.
+
+With conda:
+
+.. code:: bash
+
+    conda create --name mdahole2
+    conda activate mdahole2
+    conda env update --name mdahole2 --file devtools/conda-envs/test_env.yaml --file docs/requirements.yaml
+    pip install -e .
 
-``mdahole2`` is currently only installable from source (although hosting on conda-forge is planned).
-As such ``conda-build`` is required. To download this utility, invoke:
+With pip:
 
 .. code:: bash
 
-	conda install conda-build
+    pip install -e .
 
-From the repository root directory, run
+For development purposes, you can install additional test and documentation dependencies:
 
 .. code:: bash
 
-	conda build . && conda install --use-local mdahole2
+    pip install -e ".[test,doc]"
 
-to build the package and install the local build.
+.. _Anaconda: https://docs.conda.io/en/latest/
 
 Installing hole2
 ~~~~~~~~~~~~~~~~