search

openforcefield / openff-qcsubmit

Automated tools for submitting molecules to QCFractal
https://openff-qcsubmit.readthedocs.io/en/latest/index.html
MIT License
26 stars 4 forks source link

Pin python<3.9 #97

Open trevorgokey opened 3 years ago

trevorgokey commented 3 years ago

Tried to install qcsubmit with OE installed after, and it looks like OE needs <python3.9. Maybe want to pin it to make installation easier until OE gets an update.

This is what I did:

conda create -n qcsubmit -c conda-forge -c omnia/label/rc -c omnia openff-qcsubmit -c openeye
conda activate qcsubmit
conda install openeye-toolkits -c openeye

which tries to install omnia/label/rc/noarch::openff-qcsubmit-0.2.0-py_1

Out:

    raise UnsatisfiableError(bad_deps, strict=strict_channel_priority)
conda.exceptions.UnsatisfiableError: The following specifications were found
to be incompatible with the existing python installation in your environment:

Specifications:

  - openeye-toolkits -> python[version='>=3.4,<3.5.0a0|>=3.5,<3.6.0a0|>=3.6,<3.7.0a0|>=3.8,<3.9.0a0|>=3.7,<3.8.0a0']

Your python: python=3.9
jthorton commented 3 years ago

Thanks for finding this I'll update the recipe, and add it to the github as I notice it is missing.

mattwthompson commented 3 years ago

This probably means the 3.9 + OpenEye part's of the toolkit's tests don't actually using 3.9, probably silently downgrading to 3.8 ...