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Parallel read and preprocess the data in ABFE workflow (#371) #157

Parallel read and preprocess the data in ABFE workflow (#371)

Parallel read and preprocess the data in ABFE workflow (#371) #157

Workflow file for this run

name: Build and upload to PyPI
on:
push:
branches:
- master
tags:
- "*"
release:
types:
- published
concurrency:
group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}"
cancel-in-progress: true
defaults:
run:
shell: bash -l {0}
jobs:
build_wheels:
environment: deploy
if: "github.repository == 'alchemistry/alchemlyb'"
name: Build pure Python wheel and tarball
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
with:
fetch-depth: 0
- name: setup_miniconda
uses: conda-incubator/setup-miniconda@v3
with:
python-version: "3.10"
auto-update-conda: true
add-pip-as-python-dependency: true
architecture: x64
- name: install_deps
run: |
python -m pip install build
- name: build
run: |
python -m build --sdist --wheel --outdir dist/
- name: publish_testpypi
# Upload to testpypi on every tag
if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')
uses: pypa/gh-action-pypi-publish@release/v1
with:
password: ${{ secrets.TEST_PYPI_API_TOKEN }}
repository-url: https://test.pypi.org/legacy/
- name: publish_pypi
if: github.event_name == 'release' && github.event.action == 'published'
uses: pypa/gh-action-pypi-publish@release/v1
with:
password: ${{ secrets.PYPI_API_TOKEN }}