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Merge pull request #209 from timcallow/warnings_improve #152

Merge pull request #209 from timcallow/warnings_improve

Merge pull request #209 from timcallow/warnings_improve #152

Workflow file for this run

name: tests
on:
pull_request:
branches:
- master
- develop
push:
branches:
- master
- develop
jobs:
run-test-suite:
runs-on: ubuntu-22.04
timeout-minutes: 60
steps:
- name: Check out repository
uses: actions/checkout@v3
- name: Setup Python
uses: actions/setup-python@v4
with:
python-version: '3.10'
- name: Upgrade pip
run: python -m pip install --upgrade pip
- name : Install pipenv
run : python -m pip install --upgrade pipenv
- id: cache-pipenv
uses: actions/cache@v3
with:
path: ~/.local/share/virtualenvs
key: ${{ runner.os }}-pipenv-${{ hashFiles('**/Pipfile.lock') }}_v2
- name: Get latest commit SHA of libxc master branch
id: get-sha
run: |
echo "::set-output name=sha::$(git ls-remote https://github.com/ElectronicStructureLibrary/libxc.git refs/heads/master | cut -f 1)"
- name: Cache external library
id: cache-libxc
uses: actions/cache@v3
with:
path: ~/libxc/sharedlib/
key: libxc-${{ runner.os }}-${{ steps.get-sha.outputs.sha }}
- name: Build and install libxc
if: steps.cache-libxc.outputs.cache-hit != 'true'
run: |
install_path=~/libxc/sharedlib/
cd ~
git clone https://github.com/ElectronicStructureLibrary/libxc.git
cd ~/libxc
mkdir -p $install_path
cmake -H. -Bobjdir -DBUILD_SHARED_LIBS=ON -DCMAKE_INSTALL_PREFIX=$install_path -DENABLE_PYTHON=ON
cd objdir && make
make test
make install
- name: Set LD_LIBRARY_PATH
run: echo "LD_LIBRARY_PATH=$LD_LIBRARY_PATH:~/libxc/sharedlib/" >> $GITHUB_ENV
- name: Cache Python bindings
id: cache-bindings
uses: actions/cache@v3
with:
path: ~/libxc
key: bindings-${{ runner.os }}-${{ steps.get-libxc-sha.outputs.sha }}
- name: Install dependencies
if: steps.cache-pipenv.outputs.cache-hit != 'true'
run: |
cd ${{ github.workspace }}
pipenv install --dev
- name: Install Python bindings
if: steps.cache-bindings.outputs.cache-hit != 'true'
run: |
pipenv run pip install ~/libxc/
- name: Install atoMEC
run: |
cd ${{ github.workspace }}
pipenv run pip install -e .
- name: Run test suite
run: pipenv run pytest --cov=atoMEC --cov-report=xml --random-order tests/
- name: Upload coverage reports to Codecov
uses: codecov/codecov-action@v3
with:
token: ${{ secrets.CODECOV_TOKEN }}