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Switch to using Pypa action directly #81

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d721e07
lowercase it
lilyminium Sep 9, 2025
1f2ff1f
use pypa action directly
lilyminium Sep 9, 2025
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70 changes: 55 additions & 15 deletions .github/workflows/deploy.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,10 @@ on:
- published
workflow_dispatch:

defaults:
run:
shell: bash -l {0}

jobs:
testpypi_push:
environment:
Expand All @@ -23,15 +27,33 @@ jobs:
steps:
- uses: actions/checkout@v5

- name: testpypi_deploy
uses: MDAnalysis/pypi-deployment@main
if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')
- uses: actions/setup-python@v5
with:
python-version: "3.11"

- name: Install dependencies
run: |
python -m pip install pipx

- name: Build
run: |
python -m pipx run build

- id: testpypi_upload
uses: pypa/[email protected]
with:
test_submission: true
package_name: 'openff-nagl-models'
module_name: 'openff.nagl_models'
wheels: false
test_deps: "pytest numpy"
skip-existing: true
repository-url: https://test.pypi.org/legacy/

- name: run_pytest
run: |
# sleep for 10 seconds to make sure things are refreshing upstream
sleep 10

# Install via pipx and run tests
python -m pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple openff-nagl-models
python -m pip install pytest numpy
python -m pytest --pyargs openff.nagl_models

pypi_push:
environment:
Expand All @@ -46,11 +68,29 @@ jobs:
steps:
- uses: actions/checkout@v5

- name: pypi_deploy
uses: MDAnalysis/pypi-deployment@main
if: github.event_name == 'release' && github.event.action == 'published'
- uses: actions/setup-python@v5
with:
package_name: 'openff-nagl-models'
module_name: 'openff.nagl_models'
wheels: false
test_deps: "pytest numpy"
python-version: "3.11"

- name: Install dependencies
run: |
python -m pip install pipx

- name: Build
run: |
python -m pipx run build

- id: pypi_upload
uses: pypa/[email protected]
with:
skip-existing: true

- name: run_pytest
run: |
# sleep for 10 seconds to make sure things are refreshing upstream
sleep 10

# Install via pipx and run tests
python -m pip install openff-nagl-models
python -m pip install pytest numpy
python -m pytest --pyargs openff.nagl_models