include gufe main and latest in ci matrix #1036

atravitz · 2024-12-05T17:54:20Z

CI is currently failing because of changes on gufe main. We should (at least for now) run CI for both gufe main and latest, since we expect it to pass on latest but fail on main.

github-actions · 2024-12-05T17:54:34Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-05T17:55:48Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-05T17:58:52Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-05T18:12:06Z

🚨 API breaking changes detected! 🚨

codecov · 2024-12-05T18:21:21Z

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 92.83%. Comparing base (be3433c) to head (cb25ce5).
Report is 15 commits behind head on main.

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #1036      +/-   ##
==========================================
- Coverage   94.59%   92.83%   -1.77%     
==========================================
  Files         134      134              
  Lines        9940     9961      +21     
==========================================
- Hits         9403     9247     -156     
- Misses        537      714     +177

Flag	Coverage Δ
fast-tests	`92.83% <ø> (?)`
slow-tests	`?`

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github-actions · 2024-12-05T18:40:45Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-05T18:46:48Z

🚨 API breaking changes detected! 🚨

IAlibay

Couple of things:

If you do this, then you have to ammend the env yaml file
This will use up all our runners when we do a merge with slow tests - i.e. it's too many runners.

IAlibay · 2024-12-05T18:51:40Z

See https://github.com/OpenFreeEnergy/openfe/actions/runs/12186104840/job/33993854139?pr=1036#step:9:617

Even though it's set at latest, the issue you're facing is that you've already pip installed gufe, so mamba attempts to installs, finds that you already have a working version and does nothing.

github-actions · 2024-12-05T19:05:31Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-05T19:30:35Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-05T21:15:30Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-05T21:23:01Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-05T21:34:55Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-05T21:35:28Z

🚨 API breaking changes detected! 🚨

This reverts commit 59feef6.

github-actions · 2024-12-05T21:40:27Z

🚨 API breaking changes detected! 🚨

IAlibay

The main question I have is "how long are we planning to do this".

One key issue I could see is that openfe adapts to match a behaviour from gufe (see for example when we dropped the key stability tests) and then "latest" fails, but that's intentional because we've fixed things to match with upstream.

.github/workflows/ci.yaml

github-actions · 2024-12-05T22:49:54Z

🚨 API breaking changes detected! 🚨

atravitz · 2024-12-05T22:55:55Z

@mikemhenry I see there's api-breaking changes flagged here - where can I get more details on this?

edit: I found the details (here)

github-actions · 2024-12-06T17:05:43Z

🚨 API breaking changes detected! 🚨

github-actions · 2024-12-06T17:17:11Z

🚨 API breaking changes detected! 🚨

IAlibay

this looks good thanks!

github-actions · 2024-12-06T17:28:10Z

🚨 API breaking changes detected! 🚨

.github/workflows/ci.yaml

atravitz requested a review from mikemhenry December 5, 2024 17:54

include gufe main and latest in ci matrix

e28bd47

atravitz force-pushed the add_latest_to_ci branch from 52ecb2c to e28bd47 Compare December 5, 2024 17:55

fixing syntax

fbdd62a

specify gufe 1.1.0

b553bfb

specifying v1.1.0

ecc8cf1

install gufe from conda-forge if latest

eecbb9d

IAlibay requested changes Dec 5, 2024

View reviewed changes

try force reintalling to get gufe latest

b322db0

switch to use conda-forge gufe in environment yaml

f2821f6

atravitz force-pushed the add_latest_to_ci branch from 8964f28 to f2821f6 Compare December 5, 2024 21:15

back to micromamba v1

b0b3038

atravitz force-pushed the add_latest_to_ci branch from 0105cc4 to b0b3038 Compare December 5, 2024 21:34

bump micromamba to v2

59feef6

Revert "bump micromamba to v2"

3057bf7

This reverts commit 59feef6.

IAlibay reviewed Dec 5, 2024

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switch one-offs to test against gufe main

039015e

atravitz mentioned this pull request Dec 5, 2024

CI doubly installs gufe@main #1035

Closed

atravitz self-assigned this Dec 5, 2024

atravitz marked this pull request as ready for review December 5, 2024 23:05

use gufe main

9bc9cf8

IAlibay approved these changes Dec 6, 2024

View reviewed changes

pin to a9b5

cb25ce5

atravitz force-pushed the add_latest_to_ci branch from e04ebe8 to cb25ce5 Compare December 6, 2024 17:27

atravitz commented Dec 6, 2024

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atravitz requested a review from IAlibay December 6, 2024 22:57

atravitz merged commit e12e07c into main Dec 6, 2024
12 of 13 checks passed

atravitz deleted the add_latest_to_ci branch December 6, 2024 23:36

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include gufe main and latest in ci matrix #1036

include gufe main and latest in ci matrix #1036

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include gufe main and latest in ci matrix #1036

include gufe main and latest in ci matrix #1036

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