full cmake 7/N: library #73
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name: BuildCM | |
on: | |
push: | |
branches: | |
- master | |
pull_request: | |
jobs: | |
build_repo: | |
strategy: | |
fail-fast: false | |
matrix: | |
build_type : [ Release, Debug ] | |
os : [ macos-latest, ubuntu-20.04 ] | |
subproject : [ ON, OFF ] | |
exclude: | |
- build_type: Release | |
subproject: ON | |
include: | |
- os: ubuntu-20.04 | |
cxx: g++-10 | |
cc: gcc-10 | |
compressor: gzip | |
- os: macos-latest | |
cxx: clang++ | |
cc: clang | |
compressor: bzip2 | |
- build_type: Debug | |
build_shared_libs: OFF | |
do_fortran: ON | |
- build_type: Release | |
build_shared_libs: ON | |
os: ubuntu-20.04 | |
do_fortran: ON | |
- build_type: Release | |
build_shared_libs: ON | |
os: macos-latest | |
do_fortran: OFF | |
# someday when mac+fortran+shared is fixed (plus universal do_fortran: ON) | |
#- build_type: Release | |
# build_shared_libs: ON | |
name: "Repo • ${{ matrix.os }}: ${{ matrix.cxx }} ${{ matrix.build_type }} shared=${{ matrix.build_shared_libs }} fetch=${{ matrix.subproject }}" | |
runs-on: ${{ matrix.os }} | |
env: | |
CC: ${{ matrix.cc }} | |
CXX : ${{ matrix.cxx }} | |
CCACHE_DIR : ${{github.workspace}}/build/.ccache | |
CCACHE_COMPRESS : true | |
CCACHE_COMPRESSLEVEL : 6 | |
BUILD_CONFIG : > | |
-G Ninja | |
-D CMAKE_BUILD_TYPE=${{ matrix.build_type }} | |
-D BUILD_SHARED_LIBS=${{ matrix.build_shared_libs }} | |
-D LIBINT_BUILD_LIBRARY_AS_SUBPROJECT=${{ matrix.subproject }} | |
-D CMAKE_INSTALL_PREFIX=${{github.workspace}}/build/library | |
-D WITH_MAX_AM=2;2 | |
-D WITH_ERI_MAX_AM=2;2 | |
-D WITH_ERI3_MAX_AM=3;2 | |
-D ENABLE_ERI=1 | |
-D ENABLE_ERI3=1 | |
-D ENABLE_ONEBODY=1 | |
-D DISABLE_ONEBODY_PROPERTY_DERIVS=ON | |
-D MULTIPOLE_MAX_ORDER=2 | |
-D LIBINT2_REQUIRE_CXX_API_COMPILED=ON | |
-D LIBINT2_ENABLE_FORTRAN=${{ matrix.do_fortran }} | |
-D LIBINT2_ENABLE_PYTHON=ON | |
-D Python_EXECUTABLE=${{ matrix.os == 'macos-latest' && '/usr/local/Frameworks/Python.framework/Versions/3.11/bin/python3.11' || '/usr/bin/python3.8' }} | |
-D EXPORT_COMPRESSOR=${{ matrix.compressor }} | |
outputs: | |
should_skip: ${{ steps.skip_check.outputs.should_skip }} | |
steps: | |
- uses: actions/checkout@v4 | |
with: | |
fetch-depth: 0 | |
# fetch-depth: 0 for git history to compute version | |
- id: skip_check | |
name: Check if can skip | |
uses: fkirc/skip-duplicate-actions@v5 | |
with: | |
cancel_others: 'true' | |
- name: Create Build Environment | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' }} | |
run: | | |
cmake -E make_directory ${{github.workspace}}/build/compiler | |
cmake -E make_directory ${{github.workspace}}/build/library | |
cmake -E make_directory ${{github.workspace}}/build/library_test | |
- name: Install prerequisite MacOS packages | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' && matrix.os == 'macos-latest' }} | |
run: | | |
brew install ninja gcc@10 boost eigen ccache [email protected] numpy scipy | |
echo "FC=/usr/local/bin/gfortran-10" >> $GITHUB_ENV | |
echo "EIGEN3_INCLUDE_DIR=/usr/local/include/eigen3" >> $GITHUB_ENV | |
- name: Install prerequisite Ubuntu packages | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' && matrix.os == 'ubuntu-20.04' }} | |
run: | | |
sudo apt-get update | |
sudo apt-get install ninja-build g++-10 gfortran-10 liblapack-dev libboost-dev libeigen3-dev ccache python3-numpy python3-scipy | |
echo "FC=/usr/bin/gfortran-10" >> $GITHUB_ENV | |
echo "EIGEN3_INCLUDE_DIR=/usr/include/eigen3" >> $GITHUB_ENV | |
- name: Prepare ccache timestamp | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' }} | |
id: ccache_cache_timestamp | |
shell: cmake -P {0} | |
run: | | |
string(TIMESTAMP current_date "%Y-%m-%d-%H;%M;%S" UTC) | |
message("\"timestamp=${current_date}\" >> $GITHUB_OUTPUT") | |
- name: Setup ccache cache files | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' }} | |
uses: actions/cache@v3 | |
with: | |
path: ${{github.workspace}}/build/.ccache | |
key: ${{ matrix.config.name }}-ccache-${{ steps.ccache_cache_timestamp.outputs.timestamp }} | |
restore-keys: | | |
${{ matrix.config.name }}-ccache- | |
- name: Build Libint generator | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' }} | |
# Use a bash shell so we can use the same syntax for environment variable | |
# access regardless of the host operating system | |
shell: bash | |
working-directory: ${{github.workspace}}/build/compiler | |
run: | | |
git describe --tags | |
cmake -S ../.. -B build $BUILD_CONFIG --log-level=DEBUG | |
cmake --build build --target check-libint2compiler | |
- name: Generate Libint library tarball | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' }} | |
shell: bash | |
working-directory: ${{github.workspace}}/build/compiler | |
run: | | |
cmake --build build --target export | |
cd build && echo "ARTIFACT=`ls -1 libint*z*`" >> $GITHUB_ENV | |
- name: Archive Libint library tarball | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' && matrix.build_type == 'Release' }} | |
uses: actions/upload-artifact@v3 | |
with: | |
if-no-files-found: error | |
name: ${{ runner.os }}-${{ matrix.cxx }} | |
path: ${{github.workspace}}/build/compiler/build/${{ env.ARTIFACT }} | |
retention-days: 1 | |
- name: Build Libint library (FetchContent=${{ matrix.subproject }}) | |
if: ${{ steps.skip_check.outputs.should_skip }} | |
shell: bash | |
working-directory: ${{github.workspace}}/build/compiler | |
run: cmake --build build | |
- name: Test Libint library - unit tests | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' }} | |
shell: bash | |
working-directory: ${{github.workspace}}/build/compiler | |
run: CTEST_PARALLEL_LEVEL=2 cmake --build build --target check-libint2 | |
- name: Build & Test Python bindings | |
if: ${{ steps.skip_check.outputs.should_skip != 'true' }} | |
shell: bash | |
working-directory: ${{github.workspace}}/build/compiler | |
run: cmake --build build --target check-python | |
build_export: | |
# to debug the second stage, it is handy to short-circuit the first stage: | |
# * suppress steps beyond "Archive Library Tarball" with "if: false" | |
# * for further reduction, run mostly Linux lanes with "os : [ ubuntu-20.04 ]" | |
needs: build_repo | |
if: always() && (needs.build_repo.outputs.should_skip != 'true') | |
strategy: | |
fail-fast: false | |
matrix: | |
cfg: | |
- runs-on: ubuntu-latest | |
lane: ubuntu-gnu | |
libargs: > | |
-D BUILD_SHARED_LIBS=ON | |
-D LIBINT2_ENABLE_FORTRAN=ON | |
testargs: "" | |
- runs-on: windows-latest | |
lane: windows-clang-cl | |
libargs: > | |
-G Ninja | |
-D CMAKE_BUILD_TYPE=Release | |
-D BUILD_SHARED_LIBS=OFF | |
-D CMAKE_CXX_COMPILER=clang-cl | |
-D CMAKE_C_COMPILER=clang-cl | |
testargs: > | |
-G Ninja | |
-D CMAKE_BUILD_TYPE=Release | |
-D CMAKE_CXX_COMPILER=clang-cl | |
-D CMAKE_C_COMPILER=clang-cl | |
- runs-on: macos-latest | |
lane: macos-clang | |
libargs: > | |
-D BUILD_SHARED_LIBS=OFF | |
-D LIBINT2_ENABLE_FORTRAN=ON | |
# return to shared when mac+fortran+shared is fixed | |
testargs: "" | |
- runs-on: ubuntu-latest | |
lane: ubuntu-intel | |
libargs: > | |
-D CMAKE_CXX_COMPILER=icpx | |
-D CMAKE_CXX_FLAGS="--gcc-toolchain=${CONDA_PREFIX} --sysroot=${CONDA_PREFIX}/${HOST}/sysroot -target ${HOST}" | |
testargs: > | |
-D CMAKE_CXX_COMPILER=icpx | |
-D CMAKE_CXX_FLAGS="--gcc-toolchain=${CONDA_PREFIX} --sysroot=${CONDA_PREFIX}/${HOST}/sysroot -target ${HOST}" | |
name: "Export • ${{ matrix.cfg.lane }}" | |
runs-on: ${{ matrix.cfg.runs-on }} | |
steps: | |
# Note we're not checking out the repo. All src from Linux tarball generated above. | |
- uses: actions/download-artifact@v3 | |
with: | |
name: Linux-g++-10 | |
- name: Write a Conda Env File | |
shell: bash -l {0} | |
run: | | |
cat > export.yaml <<EOF | |
name: test | |
channels: | |
- conda-forge | |
dependencies: | |
- cmake | |
- ninja | |
- cxx-compiler | |
- fortran-compiler | |
- python | |
- boost | |
- eigen | |
- numpy | |
- scipy | |
- pybind11 | |
#- dpcpp_linux-64 | |
EOF | |
if [[ "${{ runner.os }}" == "Windows" ]]; then | |
sed -i "s/- cxx/#- cxx/g" export.yaml | |
sed -i "s/- fortran/#- fortran/g" export.yaml | |
fi | |
if [[ "${{ matrix.cfg.lane }}" == "ubuntu-intel" ]]; then | |
sed -i "s/#- dpcpp_linux-64/- dpcpp_linux-64/g" export.yaml | |
fi | |
cat export.yaml | |
- name: Create Conda Environment | |
uses: conda-incubator/setup-miniconda@v2 | |
with: | |
miniforge-variant: Mambaforge | |
use-mamba: true | |
python-version: "3.9" | |
activate-environment: test | |
channels: conda-forge | |
environment-file: export.yaml | |
show-channel-urls: true | |
- name: Environment Information | |
shell: bash -l {0} | |
run: | | |
conda info | |
conda list | |
- name: Prepare compiler environment for Windows | |
if: ${{ runner.os == 'Windows' }} | |
uses: ilammy/msvc-dev-cmd@v1 | |
with: | |
arch: x64 | |
- name: Extract, Build, Install Libint Library | |
shell: bash -l {0} | |
run: | | |
tar -zxf libint*tgz | |
mkdir libint && mv libint-2*/* libint/ && cd libint/ | |
cmake \ | |
-S . \ | |
-B build \ | |
-G Ninja \ | |
-D CMAKE_INSTALL_PREFIX="${{github.workspace}}/installed" \ | |
-D CMAKE_CXX_COMPILER=${CXX} \ | |
-D LIBINT2_REQUIRE_CXX_API_COMPILED=ON \ | |
-D LIBINT2_ENABLE_PYTHON=ON \ | |
-D CMAKE_PREFIX_PATH="${CONDA_PREFIX}" \ | |
${{ matrix.cfg.libargs }} | |
cmake --build build --target install libint2-python-test | |
- name: Test Libint library - unit tests | |
shell: bash -l {0} | |
working-directory: ${{github.workspace}}/libint/build | |
run: | | |
cmake --build . --target check | |