Installation using Conda#

Reaktoro can be easily installed using Conda, a powerful package manager used to simplify Reaktoro’s installation and the management of its external software dependencies. Once you install Conda, and append the necessary channels, you’ll be able to install Reaktoro by just executing the following command in your terminal:

conda install reaktoro

Follow the Conda installation steps shown next before you execute this command!

Installing Conda#

Conda can be installed by installing either Anaconda or Miniconda. We recommend the installation of Miniconda, unless you already have Anaconda installed or you think you need thousands of software packages that ship with it! Miniconda is just a tiny a subset of Anaconda containing only our needed conda application and its dependencies.

Download the appropriate Miniconda Installer for your system. You’ll be able to choose installers for Windows, macOS, and Linux (32-bit or 64-bit). We recommend the latest 64-bit Miniconda installer for your operating system.

Adding conda-forge channel#

The Reaktoro pre-built package reaktoro is hosted on conda-forge. After installing Miniconda, go to a terminal and execute:

conda config --add channels conda-forge

to add the conda-forge channel, required so that the Reaktoro package reaktoro can be found.

All should now be set to install Reaktoro using:

conda install reaktoro

but you may want to follow the recommendation in the next section to install Reaktoro in a new conda environment instead of the default base environment.

Updating Reaktoro using Conda#

You should update Reaktoro frequently to take advantage of new features and improvements as they are released. It’s also important to consider that the errors you experience may be the result of using an older version that doesn’t contain a capability that you recently learned about on this website.

Assuming you’ve installed the reaktoro package in the recommended rkt conda environment, please execute the following commands in the terminal to update it:

conda activate rkt
conda update reaktoro

Double-check that the updated version is the latest available version of Reaktoro. If not, you might want to run the following command:

conda install reaktoro=X.Y.Z

where X.Y.Z is the latest version.

It may happen that conda refuses to update reaktoro to its latest version. This refusal can happen if you have installed additional packages in the rkt environment that potentially conflict with the latest version of reaktoro. In this case, you might want to remove the rkt environment and create it from scratch:

conda env remove --name rkt
conda create --name rkt reaktoro

Alternatively, you can create a new conda environment (e.g. rkt-latest) with the latest version of Reaktoro installed by default:

conda create --name rkt-latest reaktoro

In this case, remember to activate the rkt-latest conda environment when using Reaktoro and not rkt!

Please help me install Reaktoro!#

If you are having difficulties installing Reaktoro via conda, contact us