diff --git a/docs/index.rst b/docs/index.rst index d7a37096..67fc4ff2 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -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 diff --git a/docs/installation.rst b/docs/installation.rst new file mode 100644 index 00000000..164b8684 --- /dev/null +++ b/docs/installation.rst @@ -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 git@github.com: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, .... + + diff --git a/docs/usage.rst b/docs/usage.rst deleted file mode 100644 index 304a46b9..00000000 --- a/docs/usage.rst +++ /dev/null @@ -1,12 +0,0 @@ -Usage -===== - -.. _installation: - -Installation ------------- - -Here we need to write about how to install **VAMPyR**. Possibilities: -conda package, build from source, .... - -