From b52cd7fe90062d5e30c82c93dbb5d7d97c05ec18 Mon Sep 17 00:00:00 2001 From: Alia Lescoulie Date: Thu, 13 Jun 2024 01:18:15 -0700 Subject: [PATCH] add dev env info to docs --- docs/install.rst | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) diff --git a/docs/install.rst b/docs/install.rst index e7413d5..b26ec42 100644 --- a/docs/install.rst +++ b/docs/install.rst @@ -33,3 +33,22 @@ To ensure it's been installed correctly, run `mdsapt` or `python3 -m mdsapt`. Commands: generate Generate a template input file at filename. run Run a SAPT calculation using the configuration in in_file. + + +Creating a Development Environment +__________________________________ + +Using Nix +^^^^^^^^^ + +Make sure you have the `nix package manager `_ installed and clone the repository. +The development shell can be entered with the following commands, but note that the initial build it will take a long time to complete. + +.. code-block:: bash + + git clone https://github.com/calpolyccg/MDSAPT.git + cd MDSAPT + nix develop + +Alternatively if you have `direnv `_ you will simply be promoted to approve the directory, then the environment will be built, this method has the advantage of being automatically applied when you enter the MDSAPT directory +