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New utilities, nac and polarization directions in Cartesian, and load… #232

New utilities, nac and polarization directions in Cartesian, and load…

New utilities, nac and polarization directions in Cartesian, and load… #232

Workflow file for this run

name: ci
on: [push, pull_request]
jobs:
pre-commit:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v1
- name: Cache python dependencies
id: cache-pip
uses: actions/cache@v1
with:
path: ~/.cache/pip
key: pip-pre-commit-${{ hashFiles('**/setup.json') }}
restore-keys:
pip-pre-commit-
- name: Set up Python
uses: actions/setup-python@v2
with:
python-version: '3.10'
- name: Install python dependencies
run: pip install -e .[pre-commit,tests]
- name: Run pre-commit
run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
tests:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: ['3.10']
services:
rabbitmq:
image: rabbitmq:latest
ports:
- 5672:5672
steps:
- uses: actions/checkout@v2
- name: Cache python dependencies
id: cache-pip
uses: actions/cache@v1
with:
path: ~/.cache/pip
key: pip-${{ matrix.python-version }}-tests-${{ hashFiles('**/setup.json') }}
restore-keys:
pip-${{ matrix.python-version }}-tests
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v2
with:
python-version: ${{ matrix.python-version }}
- name: Install python dependencies
run: pip install -e .[tests]
- name: Run pytest
env:
AIIDA_WARN_v3: 1
run: pytest -sv --cov aiida_vibroscopy tests
- name: Upload to Codecov
if: matrix.python-version == 3.10
uses: codecov/codecov-action@v3
with:
token: ${{ secrets.CODECOV_TOKEN }}
name: pytests-vibroscopy3.9
flags: pytests
fail_ci_if_error: true