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CI #819

Workflow file for this run

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: ${{ matrix.name }}
strategy:
fail-fast: false
matrix:
include:
- name: Linux CPU Python 3.12
python-version: "3.12"
os: ubuntu-latest
gcc-version: "9"
cdt-name: cos7
- name: MacOS ARM Python 3.10
python-version: "3.10"
os: macos-latest
CMAKE_FLAGS: ""
steps:
- uses: actions/checkout@v2
- name: "Patch conda env (if needed)"
if: startsWith(matrix.os, 'ubuntu')
run: |
sed -i -e "s/@CDT_NAME@/${{ 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
miniforge-variant: Mambaforge
- 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*