AiiDA is designed to run on Unix operating systems and requires the following software:
python >= 3.6 (The programming language used by AiiDA)
python3-pip (Python 3 package manager)
postgresql (Database software, version 9.4 or higher)
RabbitMQ (A message broker necessary for AiiDA to communicate between processes)
Depending on your set up, there are a few optional dependencies:
virtualenv (Software to create a virtual python environment to install AiiDA in)
virtualenvwrapper (Wrapper for
virtualenvto easily handle virtual environments)
graphviz (For plotting AiiDA provenance graphs)
git (Version control system used for AiiDA development)
Supported operating systems¶
AiiDA has been tested on the following platforms:
Ubuntu 14.04, 16.04, 18.04
Mac OS X
We expect AiiDA to also run on:
Older and newer Ubuntu versions
Other Linux distributions
Windows Subsystem for Linux (WSL)
Below, we provide installation instructions for a number of operating systems.
To install the prerequisites on Ubuntu and any other Debian derived distribution, you can use the
apt package manager.
The following will install the basic
python requirements and the
git source control manager:
sudo apt-get install git python3-dev python3-pip virtualenv
To install the requirements for the
postgres database run the following:
sudo apt-get install postgresql postgresql-server-dev-all postgresql-client
For a more detailed description of database requirements and usage see the database section.
Finally, install the RabbitMQ message broker:
sudo apt-get install rabbitmq-server
This installs and adds RabbitMQ as a system service. To check whether it is running:
sudo rabbitmqctl status
If it is not running already, it should after a reboot. For problems with installing RabbitMQ, refer to the detailed instructions provided on the RabbitMQ website for Debian based distributions.
Mac OS X (homebrew)¶
For Mac OS we recommend using the Homebrew package manager. If you have not installed Homebrew yet, you can do so with the following command:
/usr/bin/ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"
After you have installed Homebrew, you can install the basic requirements as follows:
brew install git python postgresql
To start the
postgres database server, execute:
brew services start postgresql
For a more detailed description of database requirements and usage see the database section. Installing the RabbitMQ message broke through Homebrew is as easy as:
brew install rabbitmq
To start the server and add it as a self-starting service, run:
brew services start rabbitmq
You can check whether it is running by checking the status through the command:
If you encounter problems installing RabbitMQ, please refer to the detailed instructions provided on the website of RabbitMQ itself for Homebrew.
Mac OS X (MacPorts)¶
Another package manager for MacOS is macports.
sudo port install git python postgresql96 postgresql96-server rabbitmq-server
To start the
postgres database server, run:
sudo su postgres pg_ctl -D /opt/local/var/db/postgresql96/defaultdb start
To start the
rabbitmq server, run:
sudo launchctl load -w /Library/LaunchDaemons/org.macports.rabbitmq-server.plist
You can check whether it is running as follows:
sudo rabbitmqctl status # this starts ``rabbitmq`` at system startup: sudo port load rabbitmq-server
Be sure to install
rabbitmq-server 3.7.9 or later. If
rabbitmqctl status returns an error “Hostname mismatch”, the easiest solution
can be to simply
sudo port uninstall the package and install it again.
To install RabbitMQ on a Gentoo distribution through the
portage package manager run the following command:
emerge -av rabbitmq-server
To make sure that RabbitMQ is started at system boot, execute:
rc-update add rabbitmq
If you want to manually start the RabbitMQ server you can use:
Make sure that RabbitMQ is running with:
If you have encounter the following error
Argument '-smp enable' not supported."
Remove the mentioned option from the file
/usr/libexec/rabbitmq/rabbitmq-env and restart the server.
If you still have trouble getting RabbitMQ to run, please refer to the detailed instructions provided on the website of RabbitMQ itself for generic Unix systems.
Windows Subsystem for Linux (Ubuntu)¶
The guide for Ubuntu above can generally be followed, but there are a few things to note:
Installing Ubuntu instead of the version specific applications, will let you have the latest LTS version.
The Windows native RabbitMQ should be installed and started. (For WSL 2, this should not be necessary.)
Linux services under WSL are not started automatically. To start the PostgreSQL and RabbitMQ-server services, type the commands below in the terminal:
sudo service postgresql start sudo service rabbitmq-server start
These services may be run at startup without passing a password in the following way:
.shfile with the lines above, but without
sudo. Make the file executeable, i.e., type:
chmod +x /path/to/file.sh
And add the line:
<username> ALL=(root) NOPASSWD: /path/to/file.sh
<username>with your Ubuntu username. This will allow you to run only this specific
rootaccess (without password), without lowering security on the rest of your system.
There is a known issue in WSL Ubuntu 18.04 where the timezone is not configured correctly out-of-the-box, which may cause problem for the database. The following command can be used to re-configure the time zone:
sudo dpkg-reconfigure tzdata
The file open limit may need to be raised using
ulimit -n 2048(default is 1024), when running tests. You can check the limit by using
This may need to be run every time the system starts up.
It may be worth considering adding some of these commands to your
~/.bashrc file, since some of these settings may reset upon reboot.
For using WSL as a developer, please see the considerations made in our wiki-page for developers.