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Fireworks additions

Project description

IMTEK-Simulation custom FireWorks extensions

PyPI Tests

Johannes Hörmann, johannes.hoermann@imtek.uni-freiburg.de, Mar 2020

Quick start

Install the official FireWorks package, i.e. by pip install fireworks, (https://github.com/materialsproject/fireworks) and subsequently make this package available to your FireWorks environment, i.e. by pip install imteksimfw.

Custom FireTasks quick start

To use custom FireTasks within imteksimfw, append

ADD_USER_PACKAGES:
  - imteksimfw.fireworks.user_objects.firetasks

to your ~/.fireworks/FW_config.yaml.

Configuration samples part of the FireWorks RocketLauncher Manager include this line already.

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