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Update cclib/parser/gaussianparser.py #70

Update cclib/parser/gaussianparser.py

Update cclib/parser/gaussianparser.py #70

Workflow file for this run

---
# yamllint disable rule:line-length
name: run tests and coverage
# yamllint disable-line rule:truthy
on: [push, pull_request]
jobs:
run-tests:
runs-on: ubuntu-20.04
strategy:
matrix:
container:
- 'shivupa/cclib-ci:py37-edge'
- 'shivupa/cclib-ci:py38-edge'
- 'shivupa/cclib-ci:py39-edge'
- 'shivupa/cclib-ci:py310-edge'
container:
image: ${{ matrix.container }}
defaults:
run:
shell: bash -eo pipefail -l {0}
steps:
- name: Checkout
uses: actions/checkout@v3
- name: Allow repo access (see https://github.com/actions/checkout/issues/760)
run: |
git config --global --add safe.directory /__w/cclib/cclib
- name: Prepare conda environment
run: |
echo "/opt/conda/envs/cclib/bin" >> $GITHUB_PATH
- name: Install cclib
run: |
python -m pip install .
- name: Filter code
uses: dorny/paths-filter@v2
id: filter
with:
filters: |
methods:
- 'cclib/cclib/method/**'
- name: Test core code with pytest
run: |
env | sort
bash .github/scripts/run_pytest.bash
- name: Test methods with pytest
if: steps.filter.outputs.methods == 'false'
run: |
bash .github/scripts/run_pytest_methods.bash
- name: Upload coverage to Codecov
uses: codecov/codecov-action@v2
with:
files: ./coverage-unit.xml,./coverage-regression.xml,./coverage-method.xml
name: codecov-cclib
fail_ci_if_error: true
verbose: false
if: matrix.container == 'shivupa/cclib-ci:py37'