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Installation

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Adsorpyon is an application built using Python 3.7, meaning that it should be compatible with most Python versions in use at the moment. In terms of libraries, adsorpyon is built using Numpy, Scipy, and Matplotlib, all of which should be installed on the machine for the application to work.

To decrease the chances of errors, it is recommended that the application is run inside a Python virtual environment containing the exact versions of the libraries listed in the requirements.txt file. Also, since the application was created in Linux, little to no testing has been done on Windows. For this reason, we encourage you to install adsorpyon inside Windows Subsystem for Linux or to contact us in case any unexpected bugs are encountered.

Install Python and download adsorpyon

  • Download and install Python 3.7 or a more recent version from the official website.
  • Verify the installation by opening a terminal and typing python --version. The output should display the version of Python you just installed.
  • Use git clone https://github.com/stflavian/adsorpyon.git or download the .zip file containing the code to your desired location and unzip the archive.

Create a virtual environment

This step is not necessary in case you already have Numpy, Scipy, and Matplotlib installed globally on your Python version. Still, we highly recommend that you install these libraries inside a virtual environment to minimize the chance of errors.

  • Using the terminal, create a virtual environment for your project by running python -m venv env in your project directory. This will create a new directory called env that contains a copy of the Python interpreter and pip package manager.
  • Activate the virtual environment by running source env/bin/activate on Linux/MacOS or env\Scripts\activate.bat on Windows.

Note

Make sure that the Python virtual environment is active during the next step of the installation and when using the code. When the environment is active, its name is displayed before the terminal prompt inside parenthesis, e.g. (env) John@PC: ~.

Install requirements and set up the run.py file

  • Install dependencies by running pip install -r requirements.txt in your project directory. This will install all the packages listed in the requirements.txt file.
  • Open the run.py file found in the /examples/run folder.
  • Change the path in line 4 from "/home/user/path/to/adsorpyon" to the path in which you downloaded adsorpyon, e.g. "/home/john/Desktop/adsorpyon" on Linux or C:\Users\John\Desktop\adsorpyon on Windows.

Note

Make sure to use the updated version of the run.py when creating new working folders.