Add Colvars module version 2023-10-23 #2507
Workflow file for this run
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| name: CMake Build Matrix | |
| on: [push, pull_request] | |
| env: | |
| CMAKE_VERSION: 3.18.3 | |
| NINJA_VERSION: 1.10.1 | |
| BUILD_TYPE: Release | |
| CCACHE_VERSION: 3.7.7 | |
| jobs: | |
| build: | |
| name: ${{ matrix.config.name }} | |
| runs-on: ${{ matrix.config.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| config: | |
| - { | |
| name: "Windows Latest MSVC", artifact: "Windows-MSVC.7z", | |
| os: windows-2019, | |
| cc: "cl", cxx: "cl", | |
| environment_script: "C:/Program Files (x86)/Microsoft Visual Studio/2019/Enterprise/VC/Auxiliary/Build/vcvars64.bat", | |
| gpu_var: "Off" | |
| } | |
| - { | |
| name: "macOS Latest Clang", artifact: "macOS.7z", | |
| os: macos-latest, | |
| cc: "clang", cxx: "clang++", | |
| gpu_var: "Off" | |
| } | |
| - { | |
| name: "macOS 11 gcc with OpenCL", artifact: "macOS-gcc-OpenCL.7z", | |
| os: macos-11, # Don't upgrade to macOS 12, see Issue #4646 | |
| cc: "gcc-10", cxx: "g++-10", | |
| gpu_var: "OpenCL" | |
| } | |
| steps: | |
| - uses: actions/checkout@v1 | |
| - name: Download Ninja and CMake | |
| shell: cmake -P {0} | |
| run: | | |
| set(cmake_version $ENV{CMAKE_VERSION}) | |
| set(ninja_version $ENV{NINJA_VERSION}) | |
| message(STATUS "Using host CMake version: ${CMAKE_VERSION}") | |
| if ("${{ runner.os }}" STREQUAL "Windows") | |
| set(ninja_suffix "win.zip") | |
| set(cmake_suffix "win64-x64.zip") | |
| set(cmake_dir "cmake-${cmake_version}-win64-x64/bin") | |
| elseif ("${{ runner.os }}" STREQUAL "macOS") | |
| set(ninja_suffix "mac.zip") | |
| set(cmake_suffix "Darwin-x86_64.tar.gz") | |
| set(cmake_dir "cmake-${cmake_version}-Darwin-x86_64/CMake.app/Contents/bin") | |
| endif() | |
| set(ninja_url "https://github.com/ninja-build/ninja/releases/download/v${ninja_version}/ninja-${ninja_suffix}") | |
| file(DOWNLOAD "${ninja_url}" ./ninja.zip SHOW_PROGRESS) | |
| execute_process(COMMAND ${CMAKE_COMMAND} -E tar xvf ./ninja.zip) | |
| set(cmake_url "https://github.com/Kitware/CMake/releases/download/v${cmake_version}/cmake-${cmake_version}-${cmake_suffix}") | |
| file(DOWNLOAD "${cmake_url}" ./cmake.zip SHOW_PROGRESS) | |
| execute_process(COMMAND ${CMAKE_COMMAND} -E tar xvf ./cmake.zip) | |
| # Add to PATH environment variable | |
| file(TO_CMAKE_PATH "$ENV{GITHUB_WORKSPACE}/${cmake_dir}" cmake_dir) | |
| set(path_separator ":") | |
| if ("${{ runner.os }}" STREQUAL "Windows") | |
| set(path_separator ";") | |
| endif() | |
| file(APPEND "$ENV{GITHUB_PATH}" "$ENV{GITHUB_WORKSPACE}${path_separator}${cmake_dir}") | |
| if (NOT "${{ runner.os }}" STREQUAL "Windows") | |
| execute_process( | |
| COMMAND chmod +x ninja | |
| COMMAND chmod +x ${cmake_dir}/cmake | |
| ) | |
| endif() | |
| - name: Download ccache | |
| id: ccache | |
| shell: cmake -P {0} | |
| run: | | |
| set(ccache_url "https://github.com/cristianadam/ccache/releases/download/v$ENV{CCACHE_VERSION}/${{ runner.os }}.tar.xz") | |
| file(DOWNLOAD "${ccache_url}" ./ccache.tar.xz SHOW_PROGRESS) | |
| execute_process(COMMAND ${CMAKE_COMMAND} -E tar xvf ./ccache.tar.xz) | |
| - name: ccache cache files | |
| uses: actions/cache@v1.1.0 | |
| with: | |
| path: .ccache | |
| key: ${{ matrix.config.name }}-ccache-${{ github.sha }} | |
| restore-keys: | | |
| ${{ matrix.config.name }}-ccache- | |
| - name: Configure | |
| shell: cmake -P {0} | |
| run: | | |
| set(ENV{CC} ${{ matrix.config.cc }}) | |
| set(ENV{CXX} ${{ matrix.config.cxx }}) | |
| set(ENV{CI_JOB_ID} ${{ github.sha }} ) # Tell CMake it's running in CI | |
| if ("${{ runner.os }}" STREQUAL "Windows" AND NOT "x${{ matrix.config.environment_script }}" STREQUAL "x") | |
| execute_process( | |
| COMMAND "${{ matrix.config.environment_script }}" && set | |
| OUTPUT_FILE environment_script_output.txt | |
| ) | |
| file(STRINGS environment_script_output.txt output_lines) | |
| foreach(line IN LISTS output_lines) | |
| if (line MATCHES "^([a-zA-Z0-9_-]+)=(.*)$") | |
| set(ENV{${CMAKE_MATCH_1}} "${CMAKE_MATCH_2}") | |
| endif() | |
| endforeach() | |
| endif() | |
| set(path_separator ":") | |
| if ("${{ runner.os }}" STREQUAL "Windows") | |
| set(path_separator ";") | |
| endif() | |
| set(ENV{PATH} "$ENV{GITHUB_WORKSPACE}${path_separator}$ENV{PATH}") | |
| set(openmp_use "ON") | |
| if ("${{ runner.os }}" STREQUAL "Windows") | |
| set(openmp_use "OFF") | |
| endif() | |
| set(gpu_var ${{ matrix.config.gpu_var }}) | |
| execute_process( | |
| COMMAND cmake | |
| -S . | |
| -B build | |
| -D CMAKE_BUILD_TYPE=$ENV{BUILD_TYPE} | |
| -G Ninja | |
| -D CMAKE_MAKE_PROGRAM=ninja | |
| -D CMAKE_C_COMPILER_LAUNCHER=ccache | |
| -D CMAKE_CXX_COMPILER_LAUNCHER=ccache | |
| -D GMX_COMPILER_WARNINGS=ON | |
| -D GMX_DEFAULT_SUFFIX=OFF | |
| -D GMX_GPU=${gpu_var} | |
| -D GMX_SIMD=None | |
| -D GMX_FFT_LIBRARY=FFTPACK | |
| -D GMX_OPENMP=${openmp_use} | |
| -D REGRESSIONTEST_DOWNLOAD=ON | |
| RESULT_VARIABLE result | |
| ) | |
| if (NOT result EQUAL 0) | |
| message(FATAL_ERROR "Bad exit status") | |
| endif() | |
| - name: Build | |
| shell: cmake -P {0} | |
| run: | | |
| set(ENV{NINJA_STATUS} "[%f/%t %o/sec] ") | |
| set(ENV{CI_JOB_ID} ${{ github.sha }} ) | |
| if ("${{ runner.os }}" STREQUAL "Windows" AND NOT "x${{ matrix.config.environment_script }}" STREQUAL "x") | |
| file(STRINGS environment_script_output.txt output_lines) | |
| foreach(line IN LISTS output_lines) | |
| if (line MATCHES "^([a-zA-Z0-9_-]+)=(.*)$") | |
| set(ENV{${CMAKE_MATCH_1}} "${CMAKE_MATCH_2}") | |
| endif() | |
| endforeach() | |
| endif() | |
| file(TO_CMAKE_PATH "$ENV{GITHUB_WORKSPACE}" ccache_basedir) | |
| set(ENV{CCACHE_BASEDIR} "${ccache_basedir}") | |
| set(ENV{CCACHE_DIR} "${ccache_basedir}/.ccache") | |
| set(ENV{CCACHE_COMPRESS} "true") | |
| set(ENV{CCACHE_COMPRESSLEVEL} "6") | |
| set(ENV{CCACHE_MAXSIZE} "600M") | |
| execute_process(COMMAND ccache -p) | |
| execute_process(COMMAND ccache -z) | |
| execute_process( | |
| COMMAND cmake --build build | |
| RESULT_VARIABLE result-build | |
| OUTPUT_VARIABLE output-build | |
| ERROR_VARIABLE output-build | |
| ECHO_OUTPUT_VARIABLE ECHO_ERROR_VARIABLE | |
| ) | |
| execute_process( | |
| COMMAND cmake --build build --target tests | |
| RESULT_VARIABLE result-build-test | |
| OUTPUT_VARIABLE output-build-test | |
| ERROR_VARIABLE output-build-test | |
| ECHO_OUTPUT_VARIABLE ECHO_ERROR_VARIABLE | |
| ) | |
| if ((NOT result-build EQUAL 0) OR (NOT result-build-test EQUAL 0)) | |
| string(REGEX MATCH "FAILED:.*$" error_message_build "${output-build}") | |
| string(REGEX MATCH "FAILED:.*$" error_message_build_test "${output-build-test}") | |
| string(REPLACE "\n" "%0A" error_message_build "${error_message_build}") | |
| string(REPLACE "\n" "%0A" error_message_build_test "${error_message_build_test}") | |
| message("::error::${error_message_build}") | |
| message("::error::${error_message_build_test}") | |
| message(FATAL_ERROR "Build failed") | |
| endif() | |
| execute_process(COMMAND ccache -s) | |
| - name: Run tests | |
| shell: cmake -P {0} | |
| run: | | |
| execute_process( | |
| COMMAND ctest --output-on-failure | |
| WORKING_DIRECTORY build | |
| RESULT_VARIABLE result | |
| OUTPUT_VARIABLE output | |
| ERROR_VARIABLE output | |
| ECHO_OUTPUT_VARIABLE ECHO_ERROR_VARIABLE | |
| ) | |
| if (NOT result EQUAL 0) | |
| string(REGEX MATCH "[0-9]+% tests.*[0-9.]+ sec.*$" test_results "${output}") | |
| string(REPLACE "\n" "%0A" test_results "${test_results}") | |
| message("::error::${test_results}") | |
| message(FATAL_ERROR "Running tests failed!") | |
| endif() | |