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Create main.yml

Create main.yml #1

Workflow file for this run

name: AtomQC github action
on: [push, pull_request]
jobs:
miniconda:
name: Miniconda ${{ matrix.os }}
runs-on: ${{ matrix.os }}
strategy:
matrix:
os: ["ubuntu-latest"]
steps:
- uses: actions/checkout@v2
- uses: conda-incubator/setup-miniconda@v2
with:
activate-environment: test
environment-file: environment.yml
python-version: "3.10"
auto-activate-base: false
- shell: bash -l {0}
run: |
conda info
conda list
- name: Lint
shell: bash -l {0}
run: |
conda install flake8 pycodestyle pydocstyle
flake8 --ignore E203,W503 --exclude=examples,tests,scripts --statistics --count --exit-zero atomqc
pycodestyle --ignore E203,W503 --exclude=examples,tests,scripts atomqc
pydocstyle --match-dir=core --match-dir=io --match-dir=io --match-dir=ai --match-dir=analysis --match-dir=db --match-dir=tasks --count atomqc
- name: Run pytest
shell: bash -l {0}
run: |
source ~/.bashrc
find . -type f > before_test_files.txt
conda env create -f environment.yml
conda activate my_atomqc
conda install pytest coverage codecov pandas numpy matplotlib phonopy scikit-learn jarvis-tools --quiet
pip install phonopy flake8 pytest pycodestyle pydocstyle codecov pytest-cov coverage
python setup.py develop
echo 'environment.yml'
conda env export
coverage run -m pytest
coverage report -m -i
codecov
# codecov --token="85bd9c5d-9e55-4f6d-bd69-350ee5e3bb41"