Installation

Anaconda

Installing ESPEI from PyPI (by pip install espei) is not supported. Please install ESPEI using Anaconda.

conda install -c pycalphad -c conda-forge --yes espei

After installation, you must turn off dask’s work stealing. Change the work stealing setting to distributed.scheduler.work-stealing: False in dask’s configuration. See configuration below for more details.

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.

To install the latest development version of ESPEI, use Anaconda to download ESPEI and all of the required dependencies, then remove the installed release version of ESPEI and replace it with the latest version from GitHub:

git clone https://github.com/phasesresearchlab/espei.git
cd espei
conda install -c pycalphad -c conda-forge espei
conda remove --force espei
pip install --no-deps -e .

Upgrading ESPEI later requires you to run git pull in this directory.

After installation, you must turn off dask’s work stealing. Change the work stealing setting to distributed.scheduler.work-stealing: False in dask’s configuration. See configuration below for more details.

Configuration

ESPEI uses dask-distributed to parallelize ESPEI.

After installation, you must turn off dask’s work stealing! Change the your dask configuration file to look something like:

distributed:
  version: 2
  scheduler:
    work-stealing: False

The configuration file paths can be found by running from espei.utils import get_dask_config_paths; get_dask_config_paths() in a Python interpreter. If multiple configurations are found, the latter configurations take precendence over the former, so check them from last to first. See the dask-distributed documentation for more.