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wheels (#47)
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* GA wheels generation
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eloyfelix authored Oct 3, 2023
1 parent 02fae41 commit 09a2808
Showing 1 changed file with 33 additions and 3 deletions.
36 changes: 33 additions & 3 deletions .github/workflows/ci.yml
Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,10 @@ on:
branches:
- master
tags: '*'
release:
types:
- published

jobs:
test:
name: chembl_structure_pipeline (${{ matrix.os }}, ${{ matrix.python-version }}, ${{ matrix.rdkit-version }})
Expand All @@ -16,8 +20,8 @@ jobs:
fail-fast: false
matrix:
os: ["ubuntu-latest", "macos-latest"]
python-version: ["3.8", "3.9", "3.10"]
rdkit-version: ["2022.09.01"]
python-version: ["3.8", "3.9", "3.10", "3.11"]
rdkit-version: ["2022.09.02"]
steps:
- uses: actions/checkout@v3
- uses: actions/setup-python@v4
Expand All @@ -26,7 +30,33 @@ jobs:
- name: Install dependencies
run: |
python -m pip install --upgrade pip
pip install pytest rdkit==${{ matrix.rdkit-version }}
pip install pytest build rdkit==${{ matrix.rdkit-version }}
- name: Test with pytest
run: |
pytest --doctest-modules
- name: Build wheels
run: python -m build

- name: Upload artifacts
uses: actions/upload-artifact@v3
with:
path: dist/*

upload_all:
name: Upload if release
runs-on: ubuntu-latest
needs: test
if: github.event_name == 'release' && github.event.action == 'published'
steps:
- uses: actions/setup-python@v4
with:
python-version: "3.x"
- uses: actions/download-artifact@v3
with:
name: artifact
path: dist
- uses: pypa/gh-action-pypi-publish@v1.5.1
with:
user: __token__
password: ${{ secrets.pypi_password }}

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