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kokkos-regression.yaml
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# GitHub action to build LAMMPS on Linux and run selected regression tests
name: "Kokkos Regression Test"
on:
pull_request:
branches:
- develop
workflow_dispatch:
jobs:
build:
name: Build LAMMPS
# restrict to official LAMMPS repository
if: ${{ github.repository == 'lammps/lammps' }}
runs-on: ubuntu-latest
env:
CCACHE_DIR: ${{ github.workspace }}/.ccache
steps:
- name: Checkout repository
uses: actions/checkout@v4
with:
fetch-depth: 0
show-progress: false
- name: Install extra packages
run: |
sudo apt-get update
sudo apt-get install -y ccache ninja-build libeigen3-dev \
libcurl4-openssl-dev python3-dev \
mpi-default-bin mpi-default-dev
- name: Create Build Environment
run: mkdir build
- name: Set up ccache
uses: actions/cache@v4
with:
path: ${{ env.CCACHE_DIR }}
key: linux-quick-ccache-${{ github.sha }}
restore-keys: linux-quick-ccache-
- name: Building LAMMPS via CMake
shell: bash
run: |
ccache -z
python3 -m venv linuxenv
source linuxenv/bin/activate
python3 -m pip install --upgrade pip
python3 -m pip install numpy pyyaml junit_xml
cmake -S cmake -B build \
-C cmake/presets/gcc.cmake \
-C cmake/presets/basic.cmake \
-D CMAKE_CXX_COMPILER_LAUNCHER=ccache \
-D CMAKE_C_COMPILER_LAUNCHER=ccache \
-D BUILD_SHARED_LIBS=off \
-D DOWNLOAD_POTENTIALS=off \
-D PKG_KOKKOS=on \
-D Kokkos_ARCH_ARMAVX=on \
-D Kokkos_ENABLE_OPENMP=on \
-D Kokkos_ENABLE_CUDA=off \
-D PKG_COLLOID=on \
-D PKG_GRANULAR=on \
-D BUILD_OMP=yes \
-G Ninja
cmake --build build
ccache -s
- name: Run Regression Tests for Selected Examples
shell: bash
run: |
source linuxenv/bin/activate
python3 tools/regression-tests/run_tests.py \
--lmp-bin=build/lmp \
--config-file=tools/regression-tests/config_kokkos_openmp.yaml \
--example-folders="examples/colloid;examples/melt;examples/micelle;examples/threebody" \
--output-file=output_kokkos.xml --progress-file=progress_kokkos.yaml --log-file=run_kokkos.log \
--verbose
- name: Upload artifacts
uses: actions/upload-artifact@v4
with:
name: kokkos-regression-test-artifact
path: *_kokkos.*