uibcdf / OpenPharmacophore

An open library to work with pharmacophores.
https://www.uibcdf.org/OpenPharmacophore
MIT License
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Updating mechanism to work with dependencies #44

Closed dprada closed 2 years ago

dprada commented 2 years ago

Description

With these changes, all required libraries are enlisted in a single file (devtools/requirements.yaml). To broadcast the dependencies to the yaml files in devtools/conda-build and devtools/conda-envs, a python script name devtools/broadcast_requirements.py needs to be run.

The broadcast_requirements.py script needs pyyaml to work. That's why pyyaml was added to the development section or requirements.yaml.

Todos

Notable points that this PR has either accomplished or will accomplish.

Status