-# Build, test, and install variously configured GROMACS installations.
+# Test goal: Initial build with close-to-default settings that always needs to pass before follow-up CI stages run
+# Test intents (should change rarely and conservatively):
+# OS: Ubuntu oldest supported
+# Compiler: Clang
+# Build type: Debug
+# CMake: oldest supported
+# GPU: no
+# SIMD: no
+# Scope: configure, build, unit tests
+# Test implementation choices (free to change as needed):
+# OS: Ubuntu 20.04
+# Compiler: Clang 12
+# FFT: FFTW3
+# Parallelism nt/ntomp: 4/2
-# Initial build that always needs to pass before follow-up stages run
simple-build:
+ # Test scope: configure, build, unit tests
extends:
- - .use-ccache
- .variables:default
- - .use-gcc7
+ - .use-ccache
+ - .use-clang:base
+ - .rules:basic-push
stage: pre-build
+ image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-12
+
variables:
+ CMAKE: /usr/local/cmake-3.16.3/bin/cmake
KUBERNETES_CPU_LIMIT: 8
KUBERNETES_CPU_REQUEST: 4
- KUBERNETES_MEMORY_LIMIT: 8Gi
- CMAKE_COMPILER_SCRIPT: ""
- CMAKE_EXTRA_OPTIONS: ""
+ KUBERNETES_MEMORY_REQUEST: 8Gi
CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
+ COMPILER_MAJOR_VERSION: 12
BUILD_DIR: simple-build
- only:
- refs:
- - web
- - pushes
- - schedules
- - merge_requests
- except:
- variables:
- - $GROMACS_RELEASE
script:
+ - CMAKE=${CMAKE:-$(which cmake)}
- echo $CMAKE_COMPILER_SCRIPT
- echo $CMAKE_EXTRA_OPTIONS
- echo $CMAKE_SIMD_OPTIONS
mkdir $BUILD_DIR ;
fi
- cd $BUILD_DIR
- - cmake ..
+ - which $CMAKE
+ - $CMAKE --version
+ - $CMAKE ..
-DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
$CMAKE_COMPILER_SCRIPT
$CMAKE_EXTRA_OPTIONS
2>&1 | tee cmakeLog.log
- awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
- if [ -s cmakeErrors.log ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
- - cmake --build . -- -j8 2>&1 | tee buildLogFile.log
- - cmake --build . --target tests -- -j8 2>&1 | tee testBuildLogFile.log
+ - $CMAKE --build . -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee buildLogFile.log
+ - $CMAKE --build . --target tests -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee testBuildLogFile.log
- awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
| grep -v "CMake" | tee buildErrors.log || true
- grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
- - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
+ - $CMAKE --build . --target install 2>&1 | tee installBuildLogFile.log
- if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
- ctest -D ExperimentalTest --output-on-failure | tee ctestLog.log || true
- awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
ctestLog.log | tee ctestErrors.log
- - xsltproc scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml
+ - xsltproc $CI_PROJECT_DIR/scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml
- if [ -s ctestErrors.log ] ; then
echo "Error during running ctest";
exit 1;
- $BUILD_DIR/*log
when: always
expire_in: 1 week
-
-# Jobs running in first pre-build stage
-
-.gromacs:base:configure:
- extends:
- - .variables:default
- cache: {}
- stage: configure-build
- only:
- refs:
- - web
- - pushes
- - schedules
- - merge_requests
- variables:
- KUBERNETES_CPU_LIMIT: 1
- KUBERNETES_CPU_REQUEST: 1
- KUBERNETES_MEMORY_LIMIT: 2Gi
- CMAKE_COMPILER_SCRIPT: ""
- CMAKE_EXTRA_OPTIONS: ""
- CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
- CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
- CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
- CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
- CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
- script:
- - echo $CMAKE_COMPILER_SCRIPT
- - echo $CMAKE_EXTRA_OPTIONS
- - echo $CMAKE_SIMD_OPTIONS
- - echo $CMAKE_GPU_OPTIONS
- - echo $CMAKE_MPI_OPTIONS
- - echo $CMAKE_PRECISION_OPTIONS
- - echo $CMAKE_BUILD_TYPE_OPTIONS
- - echo $CMAKE_GMXAPI_OPTIONS
- - if [[ -d $BUILD_DIR ]] ; then
- rm -rf $BUILD_DIR && mkdir $BUILD_DIR ;
- else
- echo "Preparing new build directory" ;
- mkdir $BUILD_DIR ;
- fi
- - cd $BUILD_DIR
- - cmake ..
- -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
- $CMAKE_COMPILER_SCRIPT
- $CMAKE_EXTRA_OPTIONS
- $CMAKE_SIMD_OPTIONS
- $CMAKE_MPI_OPTIONS
- $CMAKE_PRECISION_OPTIONS
- $CMAKE_BUILD_TYPE_OPTIONS
- $CMAKE_GPU_OPTIONS
- $CMAKE_GMXAPI_OPTIONS
- -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
- 2>&1 | tee cmakeLog.log
- - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
- - if [ -s cmakeErrors.log ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
- - cd ..
- artifacts:
- when: always
- paths:
- - $BUILD_DIR
-
-.gromacs:base:release:configure:
- extends:
- - .variables:default
- cache: {}
- stage: release-configure
- variables:
- KUBERNETES_CPU_LIMIT: 1
- KUBERNETES_CPU_REQUEST: 1
- KUBERNETES_MEMORY_LIMIT: 2Gi
- CMAKE_COMPILER_SCRIPT: ""
- CMAKE_EXTRA_OPTIONS: ""
- CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
- CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
- CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
- CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
- CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
- CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
- RELEASE_BUILD_DIR: release-builds
- RELEASE_SOURCE: release-source-from-tarball
- RELEASE_REGRESSIONTESTS: release-regressiontests-from-tarball
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
- script:
- - VERSION=`cat version.json |
- python3 -c "import json,sys; print(json.load(sys.stdin)['version'])"`
- - if [[ $GROMACS_RELEASE != "true" ]] ; then
- VERSION=$VERSION-dev ;
- fi
- - SOURCENAME=gromacs-$VERSION
- - SOURCETARBALL=$SOURCENAME.tar.gz
- - REGTESTNAME=regressiontests-$VERSION
- - REGTESTTARBALL=$REGTESTNAME.tar.gz
- - echo "$SOURCETARBALL"
- - echo "$REGTESTTARBALL"
- - RELEASE_TARBALLS=release-tarballs
- - rm -rf $RELEASE_TARBALLS $RELEASE_SOURCE $RELEASE_REGRESSIONTESTS && mkdir $RELEASE_TARBALLS
- - mv $SOURCETARBALL $RELEASE_TARBALLS
- - mv $REGTESTTARBALL $RELEASE_TARBALLS
- - cd $RELEASE_TARBALLS
- # We rename the source and regressiontest directories
- # to have names for them that don't change for different versions.
- - tar -xf $SOURCETARBALL
- - mv $SOURCENAME ../$RELEASE_SOURCE
- - tar -xf $REGTESTTARBALL
- - mv $REGTESTNAME ../$RELEASE_REGRESSIONTESTS
- - rm $SOURCETARBALL $REGTESTTARBALL
- - cd ..
- - echo $CMAKE_COMPILER_SCRIPT
- - echo $CMAKE_EXTRA_OPTIONS
- - echo $CMAKE_SIMD_OPTIONS
- - echo $CMAKE_GPU_OPTIONS
- - echo $CMAKE_MPI_OPTIONS
- - echo $CMAKE_PRECISION_OPTIONS
- - echo $CMAKE_BUILD_TYPE_OPTIONS
- - echo $CMAKE_GMXAPI_OPTIONS
- - if [[ -d $RELEASE_BUILD_DIR ]] ; then
- echo "Cleaning up build directory" ;
- rm -rf $RELEASE_BUILD_DIR && mkdir $RELEASE_BUILD_DIR ;
- else
- echo "Preparing new build directory" ;
- mkdir $RELEASE_BUILD_DIR ;
- fi
- - cd $RELEASE_BUILD_DIR
- - cmake ../$RELEASE_SOURCE/
- -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
- $CMAKE_COMPILER_SCRIPT
- $CMAKE_EXTRA_OPTIONS
- $CMAKE_SIMD_OPTIONS
- $CMAKE_MPI_OPTIONS
- $CMAKE_PRECISION_OPTIONS
- $CMAKE_BUILD_TYPE_OPTIONS
- $CMAKE_GPU_OPTIONS
- $CMAKE_GMXAPI_OPTIONS
- "-DREGRESSIONTEST_PATH=../$RELEASE_REGRESSIONTESTS"
- -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
- 2>&1 | tee cmakeLog.log
- - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
- - if [ -s cmakeErrors.log ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
- - cd ..
- artifacts:
- when: always
- paths:
- - $RELEASE_BUILD_DIR
- - $RELEASE_REGRESSIONTESTS
- - $RELEASE_SOURCE
-
-# Templates for configuration stage
-
-gromacs:gcc-7:configure:
- extends:
- - .gromacs:base:configure
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-gcc7
- cache: {}
- variables:
- RELEASE_BUILD_DIR: release-builds-gcc
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
- dependencies:
- - package-archive-release
- - package-regressiontests-release
- - prepare-release-version
-
-gromacs:gcc-7-simd-sse41:configure:
- extends:
- - .gromacs:base:configure
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- variables:
- CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7-double:configure:
- extends:
- - .gromacs:base:configure
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- variables:
- CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7-double:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-gcc7
- cache: {}
- variables:
- CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
- RELEASE_BUILD_DIR: release-builds-gcc
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
- dependencies:
- - package-archive-release
- - package-regressiontests-release
- - prepare-release-version
-
-gromacs:gcc-7:configure-gmxapi:
- extends:
- - .gromacs:base:configure
- - .configure-gmxapi-template
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7:release:configure-gmxapi:
- extends:
- - .gromacs:base:release:configure
- - .configure-gmxapi-template
- - .use-gcc7
- cache: {}
- variables:
- RELEASE_BUILD_DIR: release-builds-gcc
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
- dependencies:
- - package-archive-release
- - package-regressiontests-release
- - prepare-release-version
-
-gromacs:gcc-8:configure:
- extends:
- - .gromacs:base:configure
- - .use-gcc8
- needs:
- - job: simple-build
- artifacts: false
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-8:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-gcc8
- cache: {}
- variables:
- RELEASE_BUILD_DIR: release-builds-gcc
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
- dependencies:
- - package-archive-release
- - package-regressiontests-release
- - prepare-release-version
-
-gromacs:gcc-8-cuda-10.2:configure:
- extends:
- - .gromacs:base:configure
- - .use-cuda
- - .use-gcc8:cuda-10.2
- needs:
- - job: simple-build
- artifacts: false
- except:
- variables:
- - $GROMACS_RELEASE
-
-# For version of clang before 7, we need to always provide the full version
-# Use something like this instead in the download script:
-# APT_COMPILER_VERSION=$(($COMPILER_MAJOR_VERSION < 7 ? "${COMPILER_MAJOR_VERSION}.0" : $COMPILER_MAJOR_VERSION))
-gromacs:clang-6:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang6
- needs:
- - job: simple-build
- artifacts: false
- variables:
- COMPILER_MAJOR_VERSION: "6.0"
- CMAKE_MPI_OPTIONS: -DGMX_OPENMP=OFF
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang7
- needs:
- - job: simple-build
- artifacts: false
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-clang7
- cache: {}
- variables:
- RELEASE_BUILD_DIR: release-builds-clang
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
- dependencies:
- - package-archive-release
- - package-regressiontests-release
- - prepare-release-version
-
-gromacs:clang-7:configure-gmxapi:
- extends:
- - .gromacs:base:configure
- - .configure-gmxapi-template
- - .use-clang7
- needs:
- - job: simple-build
- artifacts: false
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:release:configure-gmxapi:
- extends:
- - .gromacs:base:release:configure
- - .configure-gmxapi-template
- - .use-clang7
- cache: {}
- variables:
- RELEASE_BUILD_DIR: release-builds-clang
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
- dependencies:
- - package-archive-release
- - package-regressiontests-release
- - prepare-release-version
-
-gromacs:clang-8:configure:
- extends:
- - .gromacs:base:configure
- - .use-clang8
- needs:
- - job: simple-build
- artifacts: false
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-8:release:configure:
- extends:
- - .gromacs:base:release:configure
- - .use-clang8
- cache: {}
- variables:
- RELEASE_BUILD_DIR: release-builds-clang
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
- dependencies:
- - package-archive-release
- - package-regressiontests-release
- - prepare-release-version
-
-# Jobs running during build stage
-
-.gromacs:base:build:
- # Dockerfiles are from dockerhub, user eriklindahl
- # image in admin/dockerimages/ci-docs-py27
- stage: build
- only:
- refs:
- - web
- - pushes
- - schedules
- - merge_requests
- script:
- - cd $BUILD_DIR
- - cmake --build . -- -j8 2>&1 | tee buildLogFile.log
- - cmake --build . --target tests -- -j8 2>&1 | tee testBuildLogFile.log
- - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
- | grep -v "CMake" | tee buildErrors.log || true
- - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
- - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
- - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
- - cd ..
- artifacts:
- when: always
- paths:
- - $BUILD_DIR
- - $INSTALL_DIR/
-
-gromacs:gcc-7:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-7:configure
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7:release:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-gcc7
- stage: release-build
- variables:
- BUILD_DIR: release-builds-gcc
- needs:
- - job: gromacs:gcc-7:release:configure
- artifacts: true
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7-simd-sse41:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-7-simd-sse41:configure
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7-double:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-7-double:configure
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7:build-gmxapi:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .gmxapi-extra-installs
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-7:configure-gmxapi
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7-double:release:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-gcc7
- stage: release-build
- variables:
- BUILD_DIR: release-builds-gcc
- needs:
- - job: gromacs:gcc-7-double:release:configure
- artifacts: true
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7:release:build-gmxapi:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .gmxapi-extra-installs
- - .use-gcc7
- stage: release-build
- variables:
- BUILD_DIR: release-builds-gcc
- needs:
- - job: gromacs:gcc-7:release:configure-gmxapi
- artifacts: true
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-8:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-gcc8
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-8:configure
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-8:release:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-gcc8
- stage: release-build
- variables:
- BUILD_DIR: release-builds-gcc
- needs:
- - job: gromacs:gcc-8:release:configure
- artifacts: true
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-8-cuda-10.2:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-cuda
- - .use-gcc8:cuda-10.2
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-8-cuda-10.2:configure
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-6:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-clang6
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:clang-6:configure
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-clang7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:clang-7:configure
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:release:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-clang7
- stage: release-build
- variables:
- BUILD_DIR: release-builds-clang
- needs:
- - job: gromacs:clang-7:release:configure
- artifacts: true
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:build-gmxapi:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .gmxapi-extra-installs
- - .use-clang7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:clang-7:configure-gmxapi
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:release:build-gmxapi:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .gmxapi-extra-installs
- - .use-clang7
- stage: release-build
- variables:
- BUILD_DIR: release-builds-clang
- needs:
- - job: gromacs:clang-7:release:configure-gmxapi
- artifacts: true
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-8:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-clang8
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:clang-8:configure
- artifacts: true
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-8:release:build:
- extends:
- - .gromacs:base:build
- - .use-ccache
- - .variables:default
- - .use-clang8
- stage: release-build
- variables:
- BUILD_DIR: release-builds-clang
- needs:
- - job: gromacs:clang-8:release:configure
- artifacts: true
- only:
- refs:
- - web
- - schedules
- - triggers
- variables:
- - $GROMACS_RELEASE
-
-
-# Jobs running during test stage
-
-.gromacs:base:test:
- variables:
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
- REGRESSIONTEST_OMP_RANK_NUMBER: 2
- REGRESSIONTEST_PME_RANK_NUMBER: 1
- REGRESSIONTEST_MPI_RUN_COMMAND: ""
- REGRESSIONTEST_DOUBLE: ""
- stage: test
- retry:
- max: 2
- extends:
- - .variables:default
- only:
- refs:
- - web
- - pushes
- - schedules
- - merge_requests
- script:
- - cd $BUILD_DIR
- - ctest -D ExperimentalTest --output-on-failure | tee ctestLog.log || true
- - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
- ctestLog.log | tee ctestErrors.log
- - xsltproc scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml
- - if [ -s ctestErrors.log ] ; then
- echo "Error during running ctest";
- exit 1;
- fi
- - cd ..
- - tar xzf gmx-regressiontests.tar.gz
- - source $INSTALL_DIR/bin/GMXRC
- - cd regressiontests
- - echo "perl gmxtest.pl -nt $REGRESSIONTEST_TOTAL_RANK_NUMBER -ntomp $REGRESSIONTEST_OMP_RANK_NUMBER -npme $REGRESSIONTEST_PME_RANK_NUMBER $REGRESSIONTEST_DOUBLE $REGRESSIONTEST_MPI_RUN_COMMAND"
- - perl gmxtest.pl -nt $REGRESSIONTEST_TOTAL_RANK_NUMBER -ntomp $REGRESSIONTEST_OMP_RANK_NUMBER -npme $REGRESSIONTEST_PME_RANK_NUMBER $REGRESSIONTEST_DOUBLE $REGRESSIONTEST_MPI_RUN_COMMAND -xml all
- artifacts:
- reports:
- junit: $BUILD_DIR/JUnitTestResults.xml
- paths:
- - $BUILD_DIR/Testing
- - $BUILD_DIR/tests
- - regressiontests
- when: always
- expire_in: 1 week
-
-gromacs:gcc-7:test:
- extends:
- - .gromacs:base:test
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-7:build
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7:release:test:
- extends:
- - .gromacs:base:test
- - .use-gcc7
- stage: release-tests
- variables:
- BUILD_DIR: release-builds-gcc
- needs:
- - job: gromacs:gcc-7:release:configure
- artifacts: true
- - job: gromacs:gcc-7:release:build
- artifacts: true
- only:
- refs:
- - triggers
- - web
- - schedules
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7-simd-sse41:test:
- extends:
- - .gromacs:base:test
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-7-simd-sse41:build
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7-double:test:
- extends:
- - .gromacs:base:test
- - .use-gcc7
- variables:
- REGRESSIONTEST_DOUBLE: "-double"
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-7-double:build
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7-double:release:test:
- extends:
- - .gromacs:base:test
- - .use-gcc7
- stage: release-tests
- variables:
- BUILD_DIR: release-builds-gcc
- needs:
- - job: gromacs:gcc-7-double:release:configure
- artifacts: true
- - job: gromacs:gcc-7-double:release:build
- artifacts: true
- only:
- refs:
- - triggers
- - web
- - schedules
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7:test-gmxapi:
- extends:
- - .gromacs:base:test
- - .gmxapi-extra-installs
- - .use-gcc7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-7:build-gmxapi
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-7:release:test-gmxapi:
- extends:
- - .gromacs:base:test
- - .gmxapi-extra-installs
- - .use-gcc7
- stage: release-tests
- variables:
- BUILD_DIR: release-builds-gcc
- needs:
- - job: gromacs:gcc-7:release:configure-gmxapi
- artifacts: true
- - job: gromacs:gcc-7:release:build-gmxapi
- artifacts: true
- only:
- refs:
- - triggers
- - web
- - schedules
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-8:test:
- extends:
- - .gromacs:base:test
- - .use-gcc8
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-8:build
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-8:release:test:
- extends:
- - .gromacs:base:test
- - .use-gcc8
- stage: release-tests
- variables:
- BUILD_DIR: release-builds-gcc
- needs:
- - job: gromacs:gcc-8:release:configure
- artifacts: true
- - job: gromacs:gcc-8:release:build
- artifacts: true
- only:
- refs:
- - triggers
- - web
- - schedules
- variables:
- - $GROMACS_RELEASE
-
-gromacs:gcc-8-cuda-10.2:test:
- variables:
- KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
- KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
- extends:
- - .gromacs:base:test
- - .use-cuda
- - .use-gcc8:cuda-10.2
- variables:
- REGRESSIONTEST_PME_RANK_NUMBER: 0
- REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
- REGRESSIONTEST_OMP_RANK_NUMBER: 1
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:gcc-8-cuda-10.2:build
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-6:test:
- extends:
- - .gromacs:base:test
- - .use-clang6
- variables:
- REGRESSIONTEST_OMP_RANK_NUMBER: 0
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:clang-6:build
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:test:
- extends:
- - .gromacs:base:test
- - .use-clang7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:clang-7:build
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:release:test:
- extends:
- - .gromacs:base:test
- - .use-clang7
- stage: release-tests
- variables:
- BUILD_DIR: release-builds-clang
- needs:
- - job: gromacs:clang-7:release:configure
- artifacts: true
- - job: gromacs:clang-7:release:build
- artifacts: true
- only:
- refs:
- - triggers
- - web
- - schedules
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:test-gmxapi:
- extends:
- - .gromacs:base:test
- - .gmxapi-extra-installs
- - .use-clang7
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:clang-7:build-gmxapi
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-7:release:test-gmxapi:
- extends:
- - .gromacs:base:test
- - .gmxapi-extra-installs
- - .use-clang7
- stage: release-tests
- variables:
- BUILD_DIR: release-builds-clang
- needs:
- - job: gromacs:clang-7:release:configure-gmxapi
- artifacts: true
- - job: gromacs:clang-7:release:build-gmxapi
- artifacts: true
- only:
- refs:
- - triggers
- - web
- - schedules
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-8:test:
- extends:
- - .gromacs:base:test
- - .use-clang8
- needs:
- - job: simple-build
- artifacts: false
- - job: gromacs:clang-8:build
- - job: prepare-regressiontests
- except:
- variables:
- - $GROMACS_RELEASE
-
-gromacs:clang-8:release:test:
- extends:
- - .gromacs:base:test
- - .use-clang8
- stage: release-tests
- variables:
- BUILD_DIR: release-builds-clang
- needs:
- - job: gromacs:clang-8:release:configure
- artifacts: true
- - job: gromacs:clang-8:release:build
- artifacts: true
- only:
- refs:
- - triggers
- - web
- - schedules
- variables:
- - $GROMACS_RELEASE
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff