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xGEMS

xGEMS is a modern C++/Python interface built on top of GEMS3K. The source code can be downloaded from the official Git repository. Follow the repository instructions to build it from source.

Expand to show the installation instructions

This guide explains how to set up and use xGEMS from JupyterLab on Windows using a Conda environment.

  1. Install Miniforge

Go to the Miniforge Releases Page Download the appropriate installer for Windows.

👉 Example:
Miniforge3-Windows-x86_64.exe

Run the installer and follow the prompts: - Install for Just Me - Tick Create shortcuts other options leave unticked

If "Windows protected your PC" appears, click More info → Run anyway

  1. Start a Miniforge Terminal

After installation, search for miniforge in the Start menu and open the Miniforge Prompt.

  1. Create the xGEMS Environment

Navigate to your working directory, you have to create a directory where you will start Jupyter Lab, for example:

mkdir C:\Users\MyUser\gemsworkshop
cd C:\Users\MyUser\gemsworkshop # or any preferred location
Once you start Jupyter Lab, you will be able to navigate inside this directory, you can copy here other files and notebooks.

Create the environment and install required packages:

conda create -n xgems python=3.10 xgems jupyter numpy pandas matplotlib openpyxl

Confirm with 'y' and then wait:

Proceed ([y]/n)? y

Activate the environment:

conda activate xgems

Important!

If you have installed xgems previously, you need to have the latest version. To be sure do

conda update xgems

To check that you have the lates version do

conda list

Find 'xgems' in the list and see if the installed version is

xGEMS

  1. Launch JupyterLab
jupyter lab

This opens JupyterLab in your default browser. To close JupyterLab, use CTRL+C or close the Prompt window.

  1. Import xGEMS in a Notebook

  2. Create a new notebook using the xgems kernel by clicking File->New->Notebook or by clicking on the Python (ipykernel) icon in the launcher window

  3. Add the following code to a cell:
import xgems

To add a new cell use the + sign in the top notebook toolbar. Other functions to delete, run cell, restart notebook are found there.

To run the cell click the 'play' / 'arrow to the right' button or simply press 'SHIFT+enter'.

If no error then Success!!

This guide explains how to set up and use xGEMS from JupyterLab on Linux using a Conda environment.

  1. Open a Terminal

Open your Linux terminal shell.

  1. Install Miniforge

Download and install Miniforge:

# Download the installer (adjust file name for your OS/architecture)
wget https://github.com/conda-forge/miniforge/releases/latest/download/Miniforge3-Linux-x86_64.sh

# Run the installer
bash Miniforge3-Linux-x86_64.sh

# Follow the prompts to complete installation. Activate the Conda shell and base environment with a command:
eval "$(/home/parallels/miniforge3/bin/conda shell.bash hook)"
  1. Create the xGEMS work environment folder

Navigate to your working directory, you have to create a directory where you will start Jupyter Lab, for example:

mkdir ~/gemsworkshop
cd ~/gemsworkshop  # or any preferred location

Once you started Jupyter Lab, you will be able to navigate inside this directory, you can copy here other files and notebooks.

Create the environment and install required packages:

conda create -n xgems python=3.10 xgems jupyter numpy pandas matplotlib openpyxl

Confirm with:

Proceed ([y]/n)? y

Activate the xgems working environment:

conda activate xgems

Important!

If you have installed xgems previously, you need to have the latest version. To be sure do

conda update xgems

To check that you have the lates version, do

conda list

Find 'xgems' in the list and see if the installed version is

xGEMS

  1. Launch JupyterLab
jupyter lab

This opens JupyterLab in your default browser. To close JupyterLab, use CTRL+C or close the Prompt window.

  1. Import xGEMS in a Notebook

  2. Create a new notebook using the xgems kernel by clicking File->New->Notebook or by clicking on the Python (ipykernel) icon in the launcher window

  3. Add the following code to a cell:
import xgems

To add a new cell use the + sign in the top notebook toolbar. Other functions to delete, run cell, restart notebook are found there.

To run the cell click the 'play' / 'arrow to the right' button or simply press 'SHIFT+enter'.

If no error then Success!!

This guide explains how to set up and use xGEMS from JupyterLab on macOS using a Conda environment.

  1. The easiest way to install such an environment is using Homebrew.

Open a terminal app and check if you have it installed: 

brew help

#If you have Homebrew, the output will be like this:
Example usage:
  brew search TEXT|/REGEX/
  brew info [FORMULA|CASK...]
  brew install FORMULA|CASK...
  brew update
  brew upgrade [FORMULA|CASK...]
  brew uninstall FORMULA|CASK...
  brew list [FORMULA|CASK...]
...

# Otherwise, 
zsh: command not found: brew

# In this case, install Homebrew as described in  https://brew.sh/ 

/bin/bash -c "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/HEAD/install.sh)"
2. Install Miniforge or miniconda (from Terminal app)

brew install miniforge

# Follow the prompts to complete installation

Note that if you have miniconda already installed (also in Homebrew), there will be an error message:

Error: Cask 'miniforge' conflicts with 'miniconda'.

In this case, simply proceed as described in section 3. below.

For owners of Mac M1, M2, M3, M4, using Miniforge is preferable. For that, you can brew uninstall miniconda and proceed with installing Miniforge.

  1. Create the xGEMS Environment

Navigate to your working directory, you have to create a directory where you will start Jupyter Lab, for example:

mkdir ~/gemsworkshop
cd ~/gemsworkshop  # or any preferred location

Once you start Jupyter Lab you will be able to navigate inside this directory, you can copy here other files and notebooks.

Create the xgems Conda environment and install required packages:

conda create -n xgems python=3.10 xgems jupyter numpy pandas matplotlib openpyxl

Confirm with:

Proceed ([y]/n)? y

Activate the environment:

conda activate xgems

Important!

If you have installed xgems previously, you need to have the latest version. To be sure do

conda update xgems

To check that you have the latest version of xgems, do

conda list

Find 'xgems' in the list and see if the installed version is

xGEMS

  1. Launch JupyterLab
jupyter lab

This opens JupyterLab in your default browser. To close JupyterLab, use CTRL+C or close the Prompt window.

  1. Import xGEMS in a Notebook

  2. Create a new notebook using the xgems kernel by clicking File->New->Notebook or by clicking on the Python (ipykernel) icon in the launcher window

  3. Add the following code to a cell:
import xgems

To add a new cell use the + sign in the top notebook toolbar. Other functions to delete, run cell, restart notebook are found there.

To run the cell click the 'play' / 'arrow to the right' button or simply press 'SHIFT+enter'.

If no error then Success!!

Installing xGEMS via Conda

To install xGEMS on Windows, MacOS, and Linux, use:

conda install conda-forge::xgems

Latest version

Conda-Forge

GEMS3K

The GEMS3K source code can be downloaded from the official Git repository. Follow the instructions in the repository to build the library from source.

Installing GEMS3K via Conda

The easiest way to install the GEMS3K C++ library on Windows, MacOS, and Linux is using Conda/Miniconda: 

conda install conda-forge::gems3k

Latest version

Conda-Forge