bump version #46
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name: Run Serial GPAW Tests | |
on: | |
push: | |
branches: | |
- main | |
pull_request: | |
branches: | |
- main | |
jobs: | |
build: | |
runs-on: ubuntu-20.04 | |
strategy: | |
fail-fast: false | |
matrix: | |
python-version: ['3.12'] | |
defaults: | |
run: | |
shell: bash -el {0} | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Setup conda environment | |
uses: mamba-org/setup-micromamba@v1 | |
with: | |
micromamba-version: '1.5.6-0' # any version from https://github.com/mamba-org/micromamba-releases | |
environment-name: run_tests | |
init-shell: >- | |
bash | |
powershell | |
cache-environment: false | |
post-cleanup: 'all' | |
create-args: >- | |
python=${{ matrix.python-version }} | |
env: | |
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} | |
- name: Install dependencies and build | |
run: | | |
sudo apt-get -qq install gcc cmake | |
- name: Build things | |
run: | | |
source .github/workflows/load_conda.sh | |
source .github/workflows/mm_install_torch.sh | |
LIBRARY_PATH=$CONDA_PREFIX/lib:$LIBRARY_PATH pip install . | |
python scripts/download_functionals.py | |
- name: Test with unittest | |
run: | | |
source .github/workflows/load_conda.sh | |
sh .github/workflows/setup_gpaw_nompi.sh | |
sh .github/workflows/run_gpaw_tests.sh |