Skip to content

Updates to wheel deployment workflow #5386

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
IAlibay wants to merge 6 commits into
base: develop
Choose a base branch
from
+16 −10
Open

Updates to wheel deployment workflow #5386

Changes from 3 commits
Commits
Show all changes
6 commits
Select commit Hold shift + click to select a range
aa9ca15
Add workflow dispatch trigger to deployments for testing
IAlibay May 25, 2026
746ac31
Update deployment workflow, including new arm wheels
IAlibay May 25, 2026
2346799
Need arch in name
IAlibay May 25, 2026
e2253a2
Apply suggestion from @IAlibay
IAlibay May 25, 2026
a99cfd7
may require capitalized AMD64
IAlibay May 26, 2026
c9e70fc
Update deploy.yaml
IAlibay May 28, 2026
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
27 changes: 17 additions & 10 deletions .github/workflows/deploy.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,7 @@ on:
pull_request:
branches:
- "package-*"
- "develop"

@RMeli RMeli May 27, 2026

Copy link
Copy Markdown
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Is this for testing?

@IAlibay IAlibay May 28, 2026

Copy link
Copy Markdown
Member Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Yup, removing before I merge.

push:
branches:
- "package-*"
Expand All @@ -15,6 +16,7 @@ on:
schedule:
# 3 am Tuesdays and Fridays
- cron: "0 3 * * 2,5"
workflow_dispatch:


concurrency:
Expand All @@ -37,9 +39,11 @@ jobs:
fail-fast: false
matrix:
buildplat:
- [ubuntu-22.04, manylinux_x86_64, x86_64]
- [windows-2022, win_amd64, AMD64]
- [macos-14, macosx_*, arm64]
- [ubuntu-22.04, manylinux, x86_64]
- [ubuntu-24.04-arm, manylinux, aarch64]
- [windows-2025, win, amd64]
- [macos-14, macosx, arm64]
- [macos-15-intel, macosx, x86_64]

@BradyAJohnston BradyAJohnston May 25, 2026

Copy link
Copy Markdown
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Do we really want to target builds for intel macs? Can't builds for those be dropped and if someone requires it they can always build themselves?

@IAlibay IAlibay May 25, 2026

Copy link
Copy Markdown
Member Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

My take is here is "why not" - there's not really a cost to having them. Is the concern mostly that we don't test it anymore?

@orbeckst orbeckst May 25, 2026

Copy link
Copy Markdown
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I'd still build them as long as it does not break our system. Not everyone can afford upgrading their laptop every 3 years (yes, M1 was ~2020...) and so providing our software on older architectures makes it more accessible.

@BradyAJohnston BradyAJohnston May 25, 2026

Copy link
Copy Markdown
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I mention mostly because Blender has dropped providing explicit binaries for Intel Mac's because of the development burden. As long as it's not breaking anything then I suppose why not, but I think if it starts causing issues we drop it.

@IAlibay IAlibay May 25, 2026

Copy link
Copy Markdown
Member Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

My suggestion is that we add intel osx back into the cron test matrix. I am a little bit wary that we've not run tests with it in a while, so have it solely in deployment seems risky.

python: ["cp311", "cp312", "cp313", "cp314"]
defaults:
run:
Expand All @@ -50,11 +54,11 @@ jobs:
fetch-depth: 0

- name: Build wheels
uses: pypa/cibuildwheel@v3.4.0
uses: pypa/cibuildwheel@v3.4.1
with:
package-dir: package
env:
CIBW_BUILD: ${{ matrix.python }}-${{ matrix.buildplat[1] }}
CIBW_BUILD: ${{ matrix.python }}-${{ matrix.buildplat[1] }}_${{ matrix.buildplat[2] }}
CIBW_ARCHS: ${{ matrix.buildplat[2] }}
CIBW_BUILD_VERBOSITY: 1

Expand Down Expand Up @@ -144,7 +148,7 @@ jobs:
mv dist/mdanalysistests-* testsuite/dist

- name: upload_source_and_wheels
uses: pypa/gh-action-pypi-publish@v1.13.0
uses: pypa/gh-action-pypi-publish@v1.14.0
with:
skip_existing: true
repository_url: https://test.pypi.org/legacy/
Expand Down Expand Up @@ -173,7 +177,7 @@ jobs:
mv dist/mdanalysistests-* testsuite/dist

- name: upload_tests
uses: pypa/gh-action-pypi-publish@v1.13.0
uses: pypa/gh-action-pypi-publish@v1.14.0
with:
packages_dir: testsuite/dist
skip_existing: true
Expand Down Expand Up @@ -203,7 +207,7 @@ jobs:
mv dist/mdanalysistests-* testsuite/dist

- name: upload_source_and_wheels
uses: pypa/gh-action-pypi-publish@v1.13.0
uses: pypa/gh-action-pypi-publish@v1.14.0

upload_pypi_mdanalysistests:
if: |
Expand All @@ -229,7 +233,7 @@ jobs:
mv dist/mdanalysistests-* testsuite/dist

- name: upload_tests
uses: pypa/gh-action-pypi-publish@v1.13.0
uses: pypa/gh-action-pypi-publish@v1.14.0
with:
packages_dir: testsuite/dist

Expand All @@ -249,8 +253,11 @@ jobs:
type: ["FULL", "MIN"]
exclude:
# Multiple deps don't like windows
# macos doesn't like HOLE2

@orbeckst orbeckst May 25, 2026

Copy link
Copy Markdown
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

There's a OSX-64 package https://anaconda.org/channels/conda-forge/packages/hole2/files but I guess no osx-arm.

@IAlibay IAlibay May 25, 2026

Copy link
Copy Markdown
Member Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

That's a good point, let me update that comment to osx-arm64.

Comment thread
IAlibay marked this conversation as resolved.
Outdated
- os: windows-latest
type: "FULL"
- os: "macos-latest"
type: "FULL"
- python-version: "3.14"
type: "FULL"
env:
Expand All @@ -260,7 +267,7 @@ jobs:
- uses: actions/checkout@v6

- name: setup_micromamba
uses: mamba-org/setup-micromamba@v2
uses: mamba-org/setup-micromamba@v3
with:
environment-name: mda
create-args: >-
Expand Down
Loading