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ASE: not all calculators implement the get_stress() function #1436

ASE: not all calculators implement the get_stress() function

ASE: not all calculators implement the get_stress() function #1436

Workflow file for this run

# This workflow is used to upload and deploy a new release to PyPi
# Based on https://github.com/pypa/gh-action-pypi-publish
name: PyPi Release
on:
push:
pull_request:
workflow_dispatch:
jobs:
build:
if: startsWith(github.event.ref, 'refs/tags') || github.event_name == 'release'
runs-on: ubuntu-latest
environment:
name: pypi
url: https://pypi.org/p/${{ github.event.repository.name }}
permissions:
id-token: write
steps:
- uses: actions/checkout@v4
- uses: conda-incubator/[email protected]
with:
python-version: 3.11
mamba-version: "*"
channels: conda-forge
miniforge-variant: Mambaforge
channel-priority: strict
auto-update-conda: true
environment-file: .ci_support/environment.yml
- name: Convert dependencies
run: |
cp .ci_support/environment-old.yml environment.yml
python .ci_support/release.py; cat pyproject.toml
- name: Build
shell: bash -l {0}
run: |
pip install versioneer[toml]==0.29
python setup.py sdist bdist_wheel
- name: Publish distribution 📦 to PyPI
uses: pypa/gh-action-pypi-publish@release/v1