Installation

pip (recommended)

To install ESPEI from PyPI using pip:

pip install -U pip
pip install -U espei

A recommended best practice is to install Python packages into a virtual environment. To create an environment and install ESPEI on Linux and macOS/OSX:

python -m venv calphad-env
source calphad-env/bin/activate
pip install -U pip
pip install -U pycalphad

On Windows:

python -m venv calphad-env
calphad-env\Scripts\activate
pip install -U pip
pip install -U pycalphad

Anaconda

If you prefer using Anaconda, ESPEI is distributed on conda-forge. If you do not have Anaconda installed, we recommend you download and install Miniconda3. ESPEI can be installed with the conda package manager by:

conda install -c conda-forge espei

Development versions

To make changes to the ESPEI source code, the development version must be installed. If you'll need to make changes to pycalphad simultaneously, follow the instructions to install the development version of pycalphad first.

We strongly recommend that users interested in developing packages work in a virtual environment. The steps below will create an environment called calphad-dev, which can be entered using source calphad-dev/bin/activate on Linux or macOS/OSX or activate calphad-dev\bin\activate on Windows. The environment name is arbitrary - you can use whatever name you prefer.

ESPEI uses Git and GitHub for version control. Windows users: if you do not have a working version of Git, download it here first.

To install the latest development version of ESPEI using pip:

python -m venv calphad-env
source calphad-env/bin/activate
git clone https://github.com/phasesresearchlab/espei.git
cd espei
pip install -U pip
pip install -U --editable .[dev]

With the development version installed and your environment activated, you can run the automated tests by running

pytest

If the test suite passes, you are ready to start using the development version or making changes yourself! See the guide for contributing to ESPEI to learn more. If any tests fail, please report the failure to the ESPEI issue tracker on GitHub.

To upgrade your development version to the latest version, run git pull from the top level ESPEI directory (the directory containing the setup.py file).