Use Jinja to handle simple Python expressions in YAML input files

insilichem / ommprotocol

A command line application to launch molecular dynamics simulations with OpenMM

http://ommprotocol.readthedocs.io

GNU Lesser General Public License v3.0

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Closed jaimergp closed 6 years ago

jaimergp commented 7 years ago

Like conda does for recipes.

ajasja commented 6 years ago

I think that's a great idea. Makeflow is also implementing something similar with their JX format. http://ccl.cse.nd.edu/software/manuals/jx.html

jaimergp commented 6 years ago

Added in commit 5db92fb . See standard_jinja.yaml as an example.