Many parameters used by FireWorks can be changed to suit your needs. For example, by default FireWorks will print a fw.json file in your run directory, but you can turn this off or switch to YAML format. Or, you might write a custom FireTask in a Python package external to FireWorks and need FireWorks to discover it.
A sample FW_config file (that does not change any settings) is located in the FireWorks tutorial directory: <INSTALL_DIR>/fw_tutorials/fw_config/FW_config.yaml.
To activate the config file, you must move it to your root <INSTALL_DIR> (do not change it’s name!)
To test whether your config file is activated, run any LaunchPad command:
lp_run.py version
You should see text printed to the Terminal saying successfully loaded your custom FW_config.yaml!. You can remove this text by deleting the ECHO_TEST parameter from your FW_config.yaml file.
If you’ve placed Python code for some of your own custom FireTasks in an external Python package named my_package.firetasks, you can notify FireWorks of the FireTasks in this directory by adding the packages to your config:
ADD_USER_PACKAGES:
- my_package.firetasks
Note
Make sure your package is in your PYTHONPATH! For example, typing from my_package import firetasks in an interactive Python terminal should succeed.
A few basic parameters that can be tweaked are:
Some parameters that you can change, but probably shouldn’t, are:
For a full list of parameters that can be changed, you can browse the fw_config.py file in the FireWorks source. In general, however, we suggest that you leA few basic settings: