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Update GHA to use Conda-Incubator #410

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merged 2 commits into from
Nov 10, 2020
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Lnaden
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@Lnaden Lnaden commented Nov 10, 2020

Implements the Conda-Incubator to GitHub Actions instead of old
activate script. Removes the older helper scripts.

Partial resolution to #409

Implements the Conda-Incubator to GitHub Actions instead of old
activate script. Removes the older helper scripts.
@Lnaden Lnaden requested a review from jaimergp November 10, 2020 15:45
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codecov bot commented Nov 10, 2020

Codecov Report

Merging #410 (cc9ce82) into pymbar4 (4aeace5) will increase coverage by 0.09%.
The diff coverage is n/a.

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LGTM.

I think we can also get rid of devtools/{travis-ci,appveyor}, as well as there corresponding yml files at the repo root.

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Lnaden commented Nov 10, 2020

I don't want to drop the other tools yet until we are certain we've pulled what we need from them for the documentation compile and upload.

@Lnaden Lnaden merged commit 29a5d00 into choderalab:pymbar4 Nov 10, 2020
@Lnaden Lnaden deleted the conda-incubator branch November 10, 2020 17:10
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Oops, I realized a bit too late that we need setup-miniconda v2 😬

@@ -23,7 +23,7 @@ jobs:
fail-fast: false
matrix:
os: [macOS-latest, ubuntu-latest, windows-latest]
python-version: [3.7, 3.8]
python-version: [3.8, 3.9]
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conda-forge is still building for 3.6 through 3.9---should we test with the same versions?

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Good question. I don't think we need to though. We want to make sure we are supporting the latest versions and following the protocol for "Most recent 2 Python Versions." I can understand supporting the "Most Recent 2"-1 version (3.7) in this case while everyone else gets pulled up.

We can specify in the meta.yaml on conda-forge to restrict to Python >= 3.8 and it just wont build the lesser versions.

We also do not actually do anything which is Python 3.6 incompatible, I think, so there's no harm yet (not like we have any Walrus in the code yet).

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Maybe we don't need the full matrix for all Python versions but can still include Ubuntu. Also there's a chance pymbar v4 goes noarch if the C extension is dropped, so conda-forge would be simplified.

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I like having the full matrix in our own CI testing since it lets us see upstream dependency issues. But I agree, if we can go noarch then the conda-forge build will be much simpler.

conda info
python devtools/scripts/create_conda_env.py -n=test -p=$PYVER devtools/conda-envs/test_env.yaml
- name: Setup Conda
uses: conda-incubator/setup-miniconda@v1
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The OpenFF folks were just talking about v2 update here: openforcefield/status#13

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I bumped that in #411 since I missed it in this one.

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3 participants