Developing on IDAaaS

Introduction

The goal of this document is to enable you to setup a working development environment on IDAaaS. It isn't specific to IDAaaS and should work on any Linux system to which you have sudo access.

Setting up nix

Nix is a distribution independent package manager which we will be using to install all of the libraries and tools needed for building Dissolve.

Install Nix

First, we need to run the nix installer. It will ask a series of questions, to which the answer is always yes.

sh <(curl -L https://nixos.org/nix/install) --daemon

Enable Flake support

With the release of nix version 3.0, flakes will be the preferred method of handling nix packaging. However, version 2.0 isn't out yet, so we need to tell nix that we will need flake support

First, we need to create the directory for the nix configuration file

mkdir -p ~/.config/nix

Now we need to add the nix-command and flakes features to nix

echo "experimental-features = nix-command flakes" >> ~/.config/nix/nix.conf

Trust ourselves

So as not to waste hours recompiling code, we'll be downloading some of our dependencies from a cache. We will need to add our cache to the default one.

echo "substituters = https://cache.nixos.org https://dissolve-nix.cachix.org" | sudo tee -a /etc/nix/nix.conf
echo "trusted-public-keys = cache.nixos.org-1:6NCHdD59X431o0gWypbMrAURkbJ16ZPMQFGspcDShjY= nix-community.cachix.org-1:mB9FSh9qf2dCimDSUo8Zy7bkq5CX+/rkCWyvRCYg3Fs= dissolve-nix.cachix.org-1:b7kp954+mmuowr7XZsAIBugv+xp7+n3aSF/5obidRDE=" | sudo tee -a /etc/nix/nix.conf
sudo pkill nix-daemon

Setting up the environment

If you have not done so already, close your terminal and start a new session. The nix installer does not take full effect until you start a fresh session.

Upgrade git

IDAaaS has an outdated git version which runs into some issues with nix accessing the latest dissolve version.

nix-env -i git

Create an ssh key

We’ll need an ssh key to get the source from GitHub and push our changes. If you have an existing key, you can put that in the standard place. Otherwise, you’ll want to generate a new key.

ssh-keygen -t ecdsa
cat ~/.ssh/id_ecdsa.pub

The cat command will make the terminal print the public key for your GitHub key. You'll need to add this as a new key on the GitHub new keys page.

Get Dissolve

We download the source to Dissolve

git clone git@github.com:disorderedmaterials/dissolve.git

Load the Dissolve environment

We'll now load the dissolve development environment. This will give us access to all of the tools we need to build Dissolve.

First, make sure that we’re in the Dissolve source directory.

cd dissolve

Now we start a development shell.

nix develop

There is a chance that, while setting up the shell, you'll get a message about building qtbase. If so, go grab a cup of tea. This means that one of our custom libraries hasn’t been properly pulled from cache and it will need some time to compile. Thankfully, this will only ever need to happen once.

Build Dissolve

We can now configure Dissolve.

mkdir build && cd build
cmake --preset GUI-nix ..
cd ..

And build

cmake --build build

Finally, test that Dissolve correctly compiled by running it

./build/bin/dissolve-gui

We can also run the test framework. Below, we use -j8 because the default IDAaaS machine has eight cores. IF you’re using a different machine, adjust the number to match the number of physical cores on your machine.

cd build
ctest -j8

Optional - Home Manager Setup

Home-manager is a nix utility for configuring a user’s home environment. It provides a convenient, unified interface for managing the configuration of applications.

We can install home-manager in the same way we installed git.

nix-env -i home-manager

We then need to activate the home-manager environment for dissolve.

home-manager .#dissolve

The basic configuration includes a couple of basic quality of life improvements for Dissolve development.

direnv

A utility for attaching settings to individual folders. With direnv installed, it will no longer be necessary to run `nix develop` to set all the shell variables. Instead, simply entering the `dissolve` directory will cause the settings to load and leaving the directoy will unload them.

VS Code

A popular, multi-language IDE. We’ve pre-configured

Ripgrep

A fast and convenient utility for searching files. A simple `rg chart` will display every instance of the word `chart` in all of the source files in the project.

Tealdeer

A quick reference for command line utilities. For example, `tldr rg` will explain the basics of using ripgrep.

Zoxide

A utility to quickly jump to other directories. If you have ever visited the directory `dissolve/src/data/ff/ludwig`, then you can immediately jump there with a simple `z lud`.

noti

Get notifications when a process finished. Run `noti cmake –build build` and go check your e-mail. When the compile has finished, a notification will pop up on the screen and inform you.