Skip to content
Draft
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
2 changes: 1 addition & 1 deletion docs/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@ Check out the :doc:`usage` section for further information, including how to :re
:maxdepth: 2
:caption: Contents

usage
installation
notebooks/introduction
notebooks/function_representations
notebooks/multiwavelets
Expand Down
55 changes: 55 additions & 0 deletions docs/installation.rst
Original file line number Diff line number Diff line change
@@ -0,0 +1,55 @@
.. _installation:
============
Installation
============


Prerequisites
=============
We recommend to use an environment manager like conda to install **VAMPyR** and its prerequisites.

To set up an environment named `vamp-env` and activating it using conda we can run:
```
conda create -n vamp-env
conda activate vamp-env
```
Other environment managers are also possible, but we will not cover them here.


We will work from this environment for the rest of the installation process.

Install options
===============

From conda
----------

The easiest way to install **VAMPyR** is to use the conda package manager.
You can install **VAMPyR** by running the following commmand while in the `vamp-env` environment:
```bash
conda install -c conda-forge vampyr
```
This should install **VAMPyR** and all its dependencies. To use **VAMPyR** in a script or a Jupyter notebook, you can simply follow the instructions in the notebooks.


From source
-----------

You can get the source code from github by running:
```bash
git clone https://github.com/MRChemSoft/vampyr.git
```
This will create a directory called `vampyr` in your current working directory, and download the source code there.

Alternatively one can run
```bash
git clone [email protected]:MRChemSoft/vampyr.git
```
to clone the repository using ssh. This requires that you have set up an ssh key with github.



Here we need to write about how to install **VAMPyR**. Possibilities:
conda package, build from source, ....


12 changes: 0 additions & 12 deletions docs/usage.rst

This file was deleted.