Closed mikemhenry closed 7 months ago
I think we are ready to release this on conda-forge soon :tm: but it would be nice to fix the deps listed in https://github.com/choderalab/feflow/blob/main/devtools/conda-envs/test_env.yaml since I will use them as a guide when making the conda-forge package. Right now it looks too small, for example, we explicitly import openff-units here https://github.com/choderalab/feflow/blob/main/feflow/protocols/nonequilibrium_cycling.py#L23 but it isn't listed as a dependency. Anything we explicitly import (IMHO) should be listed and we should not rely on pulling things in implicitly because a dependency we have pulls it in.
conda-forge
openff-units
I think we are ready to release this on
conda-forgesoon :tm: but it would be nice to fix the deps listed in https://github.com/choderalab/feflow/blob/main/devtools/conda-envs/test_env.yaml since I will use them as a guide when making theconda-forgepackage. Right now it looks too small, for example, we explicitly importopenff-unitshere https://github.com/choderalab/feflow/blob/main/feflow/protocols/nonequilibrium_cycling.py#L23 but it isn't listed as a dependency. Anything we explicitly import (IMHO) should be listed and we should not rely on pulling things in implicitly because a dependency we have pulls it in.