Installation Guide

Here you can find information on the packages required for a successfull installation of ThermoLIB as well as details on how to download and install ThermoLIB on a Linux system. On Windows 11, ThermoLIB was tested for Windows Subsystem for Linux - version 2. For a pure Windows-based installation, we cannot garantue any assistance but we are of course interested to hear about your adventures.

Dependencies

Some software packages should be installed before ThermoLIB can be installed and/or used. It is recommended to use the software package management of your Linux distribution to install these dependencies. The following software must be installed:

In order to get the LaTeX support in the plots made by ThermoLIB, you also need the following packages installed

which can be installed on Ubuntu using the following command:

sudo apt-get install texlive texlive-latex-extra texlive-fonts-recommended dvipng cm-super

Download and install ThermoLIB

Direct install using pip

You can install ThermoLIB directly in a conda environment using pip. If you want to create a new conda environment for ThermoLIB, you can do so as follows:

conda create -n thermolib python
conda activate thermolib

Researchers of Ghent University can then access and install the latest development version of ThermoLIB through https://github.ugent.be as follows:

pip install git+https://github.ugent.be/lvduyfhu/ThermoLIB.git

(TODO) Everybody can access and install the latest stable release of ThermoLIB through github.com as follows:

pip install git+https://github.com/XXX/XXX.git

Source code download and install

If you want to have a copy of the source code for further implementation and advanced testing, you can clone the Git repository. This also allows you to upload your own changes in the form of a pull request. Git is free and open-source distributed revision control system to easily handle programming projects shared between several people. Further information about git (including downloads and tutorials) can be found here. To clone the ThermoLIB repository, go to your favorite directory for source code (e.g. ~/build) and execute the following commands.

For researchers of Ghent University:

git clone https://github.ugent.be/lvduyfhu/ThermoLIB.git
cd thermolib

For researchers outside Ghent University:

git clone git://github.com/XXX/TODO.git thermolib
cd thermolib

The source code can be updated with the latest patches with the following command:

git pull

Once you downloaded the source code and installed all required packages, ThermoLIB can be installed. To install ThermoLIB in the active conda environment, you can use pip. For that just go into the ThermoLIB main directory (e.g. ~/build/ThermoLIB`) and run:

pip install .

Update ThermoLIB

To update ThermoLIB to the latest version, either go to your conda environment and run the pip install command again:

pip install git+https://github.ugent.be/lvduyfhu/ThermoLIB.git #for Ugent users only
pip install git+https://github.com/XXX/XXX.git #for all users

or go to your local copy of the source code, pull the latest changes from the git repository and install:

cd thermolib
git pull
pip install .

Test installation

To test if you successfully installed ThermoLIB, fire up a python terminal and try to import the ThermoLIB package. In a Linux-based operating system, you can open a terminal and type (might be different for other operating systems):

python
>>> import thermolib

A more elaborate test is to run one or more of the tutorials. If you do not get an error, you have (probably) successfully installed ThermoLIB!