CI #670
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name: CI | |
on: | |
push: | |
branches: | |
- "master" | |
pull_request: | |
branches: | |
- "master" | |
schedule: | |
# Nightly tests run on master by default: | |
# Scheduled workflows run on the latest commit on the default or base branch. | |
# (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule) | |
- cron: "0 0 * * *" | |
jobs: | |
unix: | |
runs-on: ${{ matrix.os }} | |
name: ${{ matrix.name }} | |
strategy: | |
fail-fast: false | |
matrix: | |
include: | |
- name: Linux CPU Python 3.12 | |
python-version: "3.12" | |
os: ubuntu-latest | |
gcc-version: "9" | |
cdt-name: cos7 | |
- name: MacOS Intel CPU OpenCL Python 3.10 | |
python-version: "3.10" | |
os: macos-latest | |
CMAKE_FLAGS: "" | |
steps: | |
- uses: actions/checkout@v2 | |
- name: "Patch conda env (if needed)" | |
if: startsWith(matrix.os, 'ubuntu') | |
run: | | |
sed -i -e "s/@CDT_NAME@/${{ matrix.cdt-name }}/g" \ | |
-e "s/@GCC_VERSION@/${{ matrix.gcc-version }}.*/g" \ | |
devtools/conda-envs/build-${{ matrix.os }}.yml | |
- uses: conda-incubator/setup-miniconda@v2 | |
name: "Prepare base dependencies" | |
with: | |
python-version: ${{ matrix.python-version }} | |
activate-environment: build | |
environment-file: devtools/conda-envs/build-${{ matrix.os }}.yml | |
auto-activate-base: false | |
channels: conda-forge | |
- name: "Set SDK on MacOS (if needed)" | |
if: startsWith(matrix.os, 'macos') | |
run: source devtools/scripts/install_macos_sdk.sh | |
- name: "Conda info" | |
shell: bash -l {0} | |
run: | | |
conda info -a | |
conda list | |
- name: Patch Plumed's Lepton location | |
shell: bash -l {0} | |
run: | | |
test -d ${CONDA_PREFIX}/include/plumed/lepton && mv ${CONDA_PREFIX}/include/plumed/lepton ${CONDA_PREFIX}/include/plumed/lepton.bak | |
- name: "Configure build with CMake" | |
shell: bash -l {0} | |
run: | | |
mkdir build | |
cd build | |
SHLIB_EXT=".so" | |
if [[ ${{ matrix.os }} == macos-* ]]; then | |
SHLIB_EXT=".dylib" | |
fi | |
cmake .. \ | |
-DCMAKE_INSTALL_PREFIX=${CONDA_PREFIX} \ | |
-DCMAKE_PREFIX_PATH=${CONDA_PREFIX} \ | |
-DCMAKE_BUILD_TYPE=Release \ | |
-DOPENMM_DIR=${CONDA_PREFIX} \ | |
-DPLUMED_INCLUDE_DIR=${CONDA_PREFIX}/include/plumed \ | |
-DPLUMED_LIBRARY_DIR=${CONDA_PREFIX}/lib \ | |
${{ matrix.CMAKE_FLAGS }} | |
- name: "Build" | |
shell: bash -l {0} | |
run: | | |
cd build | |
make -j2 install | |
make -j2 PythonInstall | |
- name: "Plugin information" | |
shell: bash -l {0} | |
run: | | |
python -c "import simtk.openmm as mm; print('---Loaded---', *mm.pluginLoadedLibNames, '---Failed---', *mm.Platform.getPluginLoadFailures(), sep='\n')" | |
- name: "Test C++" | |
shell: bash -l {0} | |
run: | | |
set +e | |
cd build | |
if [[ ${{ matrix.os }} == ubuntu-* ]]; then | |
test_files=$(find . -name "Test*" -executable -type f) | |
else | |
test_files=$(find . -name "Test*" -perm +0111 -type f) | |
fi | |
summary="" | |
exitcode=0 | |
for f in $test_files; do | |
fn=$(basename $f) | |
echo "::group::$fn" | |
summary+="\n${fn}: " | |
echo "Running $fn..." | |
./${f} | |
thisexitcode=$? | |
if [[ $thisexitcode == 0 ]]; then summary+="OK"; else summary+="FAILED"; fi | |
((exitcode+=$thisexitcode)) | |
echo "::endgroup::" | |
done | |
echo "-------" | |
echo "Summary" | |
echo "-------" | |
echo -e "${summary}" | |
exit $exitcode | |
- name: "Test Python" | |
shell: bash -l {0} | |
run: | | |
cd python/tests | |
pytest -v Test* |