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Updates to wheel deployment workflow #5386

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Updates to wheel deployment workflow #5386

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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
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26 changes: 16 additions & 10 deletions .github/workflows/deploy.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -15,6 +15,7 @@ on:
schedule:
# 3 am Tuesdays and Fridays
- cron: "0 3 * * 2,5"
workflow_dispatch:


concurrency:
Expand All @@ -37,9 +38,11 @@ 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]
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@BradyAJohnston BradyAJohnston May 25, 2026

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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?

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@IAlibay IAlibay May 25, 2026

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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?

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@orbeckst orbeckst May 25, 2026

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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.

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@BradyAJohnston BradyAJohnston May 25, 2026

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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.

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@IAlibay IAlibay May 25, 2026

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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 +53,11 @@ 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 +147,7 @@ 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 +176,7 @@ 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 +206,7 @@ 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 +232,7 @@ 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 +252,11 @@ jobs:
type: ["FULL", "MIN"]
exclude:
# Multiple deps don't like windows
# no osx-arm64 packages for HOLE2
- os: windows-latest
type: "FULL"
- os: "macos-latest"
type: "FULL"
- python-version: "3.14"
type: "FULL"
env:
Expand All @@ -260,7 +266,7 @@ 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
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