admin/gitlab-ci/testing-matrix.gitlab-ci.yml

   1
   2 # Initial build that always needs to pass before follow-up stages run
   3 simple-build:
   4   extends:
   5     - .use-ccache
   6     - .variables:default
   7     - .use-gcc7
   8   stage: pre-build
   9   variables:
  10     KUBERNETES_CPU_LIMIT: 8
  11     KUBERNETES_CPU_REQUEST: 4
  12     KUBERNETES_MEMORY_LIMIT: 8Gi
  13     CMAKE_COMPILER_SCRIPT: ""
  14     CMAKE_EXTRA_OPTIONS: ""
  15     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
  16     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
  17     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
  18     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
  19     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
  20     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
  21     BUILD_DIR: simple-build
  22   except:
  23     variables:
  24       - $GROMACS_RELEASE
  25   script:
  26     - echo $CMAKE_COMPILER_SCRIPT
  27     - echo $CMAKE_EXTRA_OPTIONS
  28     - echo $CMAKE_SIMD_OPTIONS
  29     - echo $CMAKE_GPU_OPTIONS
  30     - echo $CMAKE_MPI_OPTIONS
  31     - echo $CMAKE_PRECISION_OPTIONS
  32     - echo $CMAKE_BUILD_TYPE_OPTIONS
  33     - echo $CMAKE_GMXAPI_OPTIONS
  34     - if [[ -d $BUILD_DIR ]] ; then
  35       echo "Cleaning up build directory" ;
  36       rm -rf $BUILD_DIR && mkdir $BUILD_DIR ;
  37       else
  38       echo "Preparing new build directory" ;
  39       mkdir $BUILD_DIR ;
  40       fi
  41     - cd $BUILD_DIR
  42     - cmake ..
  43       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
  44       $CMAKE_COMPILER_SCRIPT
  45       $CMAKE_EXTRA_OPTIONS
  46       $CMAKE_SIMD_OPTIONS
  47       $CMAKE_MPI_OPTIONS
  48       $CMAKE_PRECISION_OPTIONS
  49       $CMAKE_BUILD_TYPE_OPTIONS
  50       $CMAKE_GPU_OPTIONS
  51       $CMAKE_GMXAPI_OPTIONS
  52       -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
  53       2>&1 | tee cmakeLog.log
  54     - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
  55     - if [ -s cmakeErrors.log  ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
  56     - cmake --build . -- -j8 2>&1 | tee buildLogFile.log
  57     - cmake --build . --target tests -- -j8 2>&1 | tee testBuildLogFile.log
  58     - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
  59       | grep -v "CMake" | tee buildErrors.log || true
  60     - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
  61     - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
  62     - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
  63     - ctest -D ExperimentalTest --output-on-failure | tee ctestLog.log || true
  64     - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
  65       ctestLog.log | tee ctestErrors.log
  66     - xsltproc scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml
  67     - if [ -s ctestErrors.log ] ; then
  68       echo "Error during running ctest";
  69       exit 1;
  70       fi
  71     - cd ..
  72   artifacts:
  73     reports:
  74       junit: $BUILD_DIR/JUnitTestResults.xml
  75     paths:
  76       - $BUILD_DIR/*log
  77     when: always
  78     expire_in: 1 week
  79
  80 # Jobs running in first pre-build stage
  81
  82 .configure-extends-template:
  83   extends:
  84     - .variables:default
  85   cache: {}
  86   stage: configure-build
  87   variables:
  88     KUBERNETES_CPU_LIMIT: 1
  89     KUBERNETES_CPU_REQUEST: 1
  90     KUBERNETES_MEMORY_LIMIT: 2Gi
  91     CMAKE_COMPILER_SCRIPT: ""
  92     CMAKE_EXTRA_OPTIONS: ""
  93     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
  94     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
  95     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
  96     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
  97     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
  98     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
  99   script:
 100     - echo $CMAKE_COMPILER_SCRIPT
 101     - echo $CMAKE_EXTRA_OPTIONS
 102     - echo $CMAKE_SIMD_OPTIONS
 103     - echo $CMAKE_GPU_OPTIONS
 104     - echo $CMAKE_MPI_OPTIONS
 105     - echo $CMAKE_PRECISION_OPTIONS
 106     - echo $CMAKE_BUILD_TYPE_OPTIONS
 107     - echo $CMAKE_GMXAPI_OPTIONS
 108     - if [[ -d $BUILD_DIR ]] ; then
 109       rm -rf $BUILD_DIR && mkdir $BUILD_DIR ;
 110       else
 111       echo "Preparing new build directory" ;
 112       mkdir $BUILD_DIR ;
 113       fi
 114     - cd $BUILD_DIR
 115     - cmake ..
 116       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
 117       $CMAKE_COMPILER_SCRIPT
 118       $CMAKE_EXTRA_OPTIONS
 119       $CMAKE_SIMD_OPTIONS
 120       $CMAKE_MPI_OPTIONS
 121       $CMAKE_PRECISION_OPTIONS
 122       $CMAKE_BUILD_TYPE_OPTIONS
 123       $CMAKE_GPU_OPTIONS
 124       $CMAKE_GMXAPI_OPTIONS
 125       -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
 126       2>&1 | tee cmakeLog.log
 127     - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
 128     - if [ -s cmakeErrors.log  ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
 129     - cd ..
 130   artifacts:
 131     when: always
 132     paths:
 133       - $BUILD_DIR
 134
 135 .configure-release-extends-template:
 136   extends:
 137     - .variables:default
 138   cache: {}
 139   stage: release-configure
 140   variables:
 141     KUBERNETES_CPU_LIMIT: 1
 142     KUBERNETES_CPU_REQUEST: 1
 143     KUBERNETES_MEMORY_LIMIT: 2Gi
 144     CMAKE_COMPILER_SCRIPT: ""
 145     CMAKE_EXTRA_OPTIONS: ""
 146     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
 147     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
 148     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
 149     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
 150     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
 151     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
 152     RELEASE_BUILD_DIR: release-builds
 153     RELEASE_SOURCE: release-source-from-tarball
 154     RELEASE_REGRESSIONTESTS: release-regressiontests-from-tarball
 155   only:
 156     refs:
 157       - web
 158       - schedules
 159       - triggers
 160     variables:
 161       - $GROMACS_RELEASE
 162   script:
 163     - VERSION=`cat version.json |
 164       python3 -c "import json,sys; print(json.load(sys.stdin)['version'])"`
 165     - if [[ $GROMACS_RELEASE != "true" ]] ; then
 166       VERSION=$VERSION-dev ;
 167       fi
 168     - SOURCENAME=gromacs-$VERSION
 169     - SOURCETARBALL=$SOURCENAME.tar.gz
 170     - REGTESTNAME=regressiontests-$VERSION
 171     - REGTESTTARBALL=$REGTESTNAME.tar.gz
 172     - echo "$SOURCETARBALL"
 173     - echo "$REGTESTTARBALL"
 174     - RELEASE_TARBALLS=release-tarballs
 175     - rm -rf $RELEASE_TARBALLS $RELEASE_SOURCE $RELEASE_REGRESSIONTESTS && mkdir $RELEASE_TARBALLS
 176     - mv $SOURCETARBALL $RELEASE_TARBALLS
 177     - mv $REGTESTTARBALL $RELEASE_TARBALLS
 178     - cd $RELEASE_TARBALLS
 179     # We rename the source and regressiontest directories
 180     # to have names for them that don't change for different versions.
 181     - tar -xf $SOURCETARBALL
 182     - mv $SOURCENAME ../$RELEASE_SOURCE
 183     - tar -xf $REGTESTTARBALL
 184     - mv $REGTESTNAME ../$RELEASE_REGRESSIONTESTS
 185     - rm $SOURCETARBALL $REGTESTTARBALL
 186     - cd ..
 187     - echo $CMAKE_COMPILER_SCRIPT
 188     - echo $CMAKE_EXTRA_OPTIONS
 189     - echo $CMAKE_SIMD_OPTIONS
 190     - echo $CMAKE_GPU_OPTIONS
 191     - echo $CMAKE_MPI_OPTIONS
 192     - echo $CMAKE_PRECISION_OPTIONS
 193     - echo $CMAKE_BUILD_TYPE_OPTIONS
 194     - echo $CMAKE_GMXAPI_OPTIONS
 195     - if [[ -d $RELEASE_BUILD_DIR ]] ; then
 196       echo "Cleaning up build directory" ;
 197       rm -rf $RELEASE_BUILD_DIR && mkdir $RELEASE_BUILD_DIR ;
 198       else
 199       echo "Preparing new build directory" ;
 200       mkdir $RELEASE_BUILD_DIR ;
 201       fi
 202     - cd $RELEASE_BUILD_DIR
 203     - cmake ../$RELEASE_SOURCE/
 204       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
 205       $CMAKE_COMPILER_SCRIPT
 206       $CMAKE_EXTRA_OPTIONS
 207       $CMAKE_SIMD_OPTIONS
 208       $CMAKE_MPI_OPTIONS
 209       $CMAKE_PRECISION_OPTIONS
 210       $CMAKE_BUILD_TYPE_OPTIONS
 211       $CMAKE_GPU_OPTIONS
 212       $CMAKE_GMXAPI_OPTIONS
 213       "-DREGRESSIONTEST_PATH=../$RELEASE_REGRESSIONTESTS"
 214       -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
 215       2>&1 | tee cmakeLog.log
 216     - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
 217     - if [ -s cmakeErrors.log  ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
 218     - cd ..
 219   artifacts:
 220     when: always
 221     paths:
 222       - $RELEASE_BUILD_DIR
 223       - $RELEASE_REGRESSIONTESTS
 224       - $RELEASE_SOURCE
 225
 226 # Templates for configuration stage
 227 .configure-gcc-cuda:
 228   extends:
 229     - .configure-extends-template
 230     - .cuda-template
 231
 232 configure-gcc-7:
 233   extends:
 234     - .configure-extends-template
 235     - .use-gcc7
 236   needs:
 237     - job: simple-build
 238       artifacts: false
 239   except:
 240     variables:
 241       - $GROMACS_RELEASE
 242
 243 configure-gcc-7-release:
 244   extends:
 245     - .configure-release-extends-template
 246     - .use-gcc7
 247   cache: {}
 248   variables:
 249     RELEASE_BUILD_DIR: release-builds-gcc
 250   only:
 251     refs:
 252       - web
 253       - schedules
 254       - triggers
 255     variables:
 256       - $GROMACS_RELEASE
 257   dependencies:
 258     - package-archive-release
 259     - package-regressiontests-release
 260     - prepare-release-version
 261
 262 configure-gcc-7-simd-sse41:
 263   extends:
 264     - .configure-extends-template
 265     - .use-gcc7
 266   needs:
 267     - job: simple-build
 268       artifacts: false
 269   variables:
 270     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
 271   except:
 272     variables:
 273       - $GROMACS_RELEASE
 274
 275 configure-gcc-7-double:
 276   extends:
 277     - .configure-extends-template
 278     - .use-gcc7
 279   needs:
 280     - job: simple-build
 281       artifacts: false
 282   variables:
 283     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
 284   except:
 285     variables:
 286       - $GROMACS_RELEASE
 287
 288 configure-gcc-7-double-release:
 289   extends:
 290     - .configure-release-extends-template
 291     - .use-gcc7
 292   cache: {}
 293   variables:
 294     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
 295     RELEASE_BUILD_DIR: release-builds-gcc
 296   only:
 297     refs:
 298       - web
 299       - schedules
 300       - triggers
 301     variables:
 302       - $GROMACS_RELEASE
 303   dependencies:
 304     - package-archive-release
 305     - package-regressiontests-release
 306     - prepare-release-version
 307
 308 configure-gcc-7-gmxapi:
 309   extends:
 310     - .configure-extends-template
 311     - .configure-gmxapi-template
 312     - .use-gcc7
 313   needs:
 314     - job: simple-build
 315       artifacts: false
 316   except:
 317     variables:
 318       - $GROMACS_RELEASE
 319
 320 configure-gcc-7-gmxapi-release:
 321   extends:
 322     - .configure-release-extends-template
 323     - .configure-gmxapi-template
 324     - .use-gcc7
 325   cache: {}
 326   variables:
 327     RELEASE_BUILD_DIR: release-builds-gcc
 328   only:
 329     refs:
 330       - web
 331       - schedules
 332       - triggers
 333     variables:
 334       - $GROMACS_RELEASE
 335   dependencies:
 336     - package-archive-release
 337     - package-regressiontests-release
 338     - prepare-release-version
 339
 340 configure-gcc-8:
 341   extends:
 342     - .configure-extends-template
 343     - .use-gcc8
 344   needs:
 345     - job: simple-build
 346       artifacts: false
 347   except:
 348     variables:
 349       - $GROMACS_RELEASE
 350
 351 configure-gcc-8-release:
 352   extends:
 353     - .configure-release-extends-template
 354     - .use-gcc8
 355   cache: {}
 356   variables:
 357     RELEASE_BUILD_DIR: release-builds-gcc
 358   only:
 359     refs:
 360       - web
 361       - schedules
 362       - triggers
 363     variables:
 364       - $GROMACS_RELEASE
 365   dependencies:
 366     - package-archive-release
 367     - package-regressiontests-release
 368     - prepare-release-version
 369
 370 configure-gcc-8-cuda-10.2:
 371   extends:
 372     - .configure-gcc-cuda
 373     - .use-gcc8:cuda-10.2
 374   needs:
 375     - job: simple-build
 376       artifacts: false
 377   except:
 378     variables:
 379       - $GROMACS_RELEASE
 380
 381 # For version of clang before 7, we need to always provide the full version
 382 # Use something like this instead in the download script:
 383 # APT_COMPILER_VERSION=$(($COMPILER_MAJOR_VERSION < 7 ? "${COMPILER_MAJOR_VERSION}.0" : $COMPILER_MAJOR_VERSION))
 384 configure-clang-6:
 385   extends:
 386     - .configure-extends-template
 387     - .use-clang6
 388   needs:
 389     - job: simple-build
 390       artifacts: false
 391   variables:
 392     COMPILER_MAJOR_VERSION: "6.0"
 393     CMAKE_MPI_OPTIONS: -DGMX_OPENMP=OFF
 394   except:
 395     variables:
 396       - $GROMACS_RELEASE
 397
 398 configure-clang-7:
 399   extends:
 400     - .configure-extends-template
 401     - .use-clang7
 402   needs:
 403     - job: simple-build
 404       artifacts: false
 405   except:
 406     variables:
 407       - $GROMACS_RELEASE
 408
 409 configure-clang-7-release:
 410   extends:
 411     - .configure-release-extends-template
 412     - .use-clang7
 413   cache: {}
 414   variables:
 415     RELEASE_BUILD_DIR: release-builds-clang
 416   only:
 417     refs:
 418       - web
 419       - schedules
 420       - triggers
 421     variables:
 422       - $GROMACS_RELEASE
 423   dependencies:
 424     - package-archive-release
 425     - package-regressiontests-release
 426     - prepare-release-version
 427
 428 configure-clang-7-gmxapi:
 429   extends:
 430     - .configure-extends-template
 431     - .configure-gmxapi-template
 432     - .use-clang7
 433   needs:
 434     - job: simple-build
 435       artifacts: false
 436   except:
 437     variables:
 438       - $GROMACS_RELEASE
 439
 440 configure-clang-7-gmxapi-release:
 441   extends:
 442     - .configure-release-extends-template
 443     - .configure-gmxapi-template
 444     - .use-clang7
 445   cache: {}
 446   variables:
 447     RELEASE_BUILD_DIR: release-builds-clang
 448   only:
 449     refs:
 450       - web
 451       - schedules
 452       - triggers
 453     variables:
 454       - $GROMACS_RELEASE
 455   dependencies:
 456     - package-archive-release
 457     - package-regressiontests-release
 458     - prepare-release-version
 459
 460 configure-clang-8:
 461   extends:
 462     - .configure-extends-template
 463     - .use-clang8
 464   needs:
 465     - job: simple-build
 466       artifacts: false
 467   except:
 468     variables:
 469       - $GROMACS_RELEASE
 470
 471 configure-clang-8-release:
 472   extends:
 473     - .configure-release-extends-template
 474     - .use-clang8
 475   cache: {}
 476   variables:
 477     RELEASE_BUILD_DIR: release-builds-clang
 478   only:
 479     refs:
 480       - web
 481       - schedules
 482       - triggers
 483     variables:
 484       - $GROMACS_RELEASE
 485   dependencies:
 486     - package-archive-release
 487     - package-regressiontests-release
 488     - prepare-release-version
 489
 490 # Jobs running during build stage
 491
 492 .binary-build-template:
 493   # Dockerfiles are from dockerhub, user eriklindahl
 494   # image in admin/dockerimages/ci-docs-py27
 495   stage: build
 496   image: biophysics/gcc-gromacs
 497   variables:
 498
 499   script:
 500     - cd $BUILD_DIR
 501     - cmake --build . -- -j8 2>&1 | tee buildLogFile.log
 502     - cmake --build . --target tests -- -j8 2>&1 | tee testBuildLogFile.log
 503     - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
 504       | grep -v "CMake" | tee buildErrors.log || true
 505     - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
 506     - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
 507     - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
 508     - cd ..
 509   artifacts:
 510     when: always
 511     paths:
 512       - $BUILD_DIR
 513       - $INSTALL_DIR/
 514
 515 .build-extends-template:
 516   extends:
 517     - .binary-build-template
 518     - .use-ccache
 519     - .variables:default
 520
 521 .build-gcc-cuda:
 522   extends:
 523     - .build-extends-template
 524     - .cuda-template
 525
 526 build-gcc-7:
 527   extends:
 528     - .build-extends-template
 529     - .use-gcc7
 530   needs:
 531     - job: simple-build
 532       artifacts: false
 533     - job: configure-gcc-7
 534       artifacts: true
 535   except:
 536     variables:
 537       - $GROMACS_RELEASE
 538
 539 build-gcc-7-release:
 540   extends:
 541     - .build-extends-template
 542     - .use-gcc7
 543   stage: release-build
 544   variables:
 545     BUILD_DIR: release-builds-gcc
 546   needs:
 547     - job: configure-gcc-7-release
 548       artifacts: true
 549   only:
 550     refs:
 551       - web
 552       - schedules
 553       - triggers
 554     variables:
 555       - $GROMACS_RELEASE
 556
 557 build-gcc-7-simd-sse41:
 558   extends:
 559     - .build-extends-template
 560     - .use-gcc7
 561   needs:
 562     - job: simple-build
 563       artifacts: false
 564     - job: configure-gcc-7-simd-sse41
 565       artifacts: true
 566   except:
 567     variables:
 568       - $GROMACS_RELEASE
 569
 570 build-gcc-7-double:
 571   extends:
 572     - .build-extends-template
 573     - .use-gcc7
 574   needs:
 575     - job: simple-build
 576       artifacts: false
 577     - job: configure-gcc-7-double
 578       artifacts: true
 579   except:
 580     variables:
 581       - $GROMACS_RELEASE
 582
 583 build-gcc-7-gmxapi:
 584   extends:
 585     - .build-extends-template
 586     - .gmxapi-extra-installs
 587     - .use-gcc7
 588   needs:
 589     - job: simple-build
 590       artifacts: false
 591     - job: configure-gcc-7-gmxapi
 592       artifacts: true
 593   except:
 594     variables:
 595       - $GROMACS_RELEASE
 596
 597 build-gcc-7-double-release:
 598   extends:
 599     - .build-extends-template
 600     - .use-gcc7
 601   stage: release-build
 602   variables:
 603     BUILD_DIR: release-builds-gcc
 604   needs:
 605     - job: configure-gcc-7-double-release
 606       artifacts: true
 607   only:
 608     refs:
 609       - web
 610       - schedules
 611       - triggers
 612     variables:
 613       - $GROMACS_RELEASE
 614
 615 build-gcc-7-gmxapi-release:
 616   extends:
 617     - .build-extends-template
 618     - .gmxapi-extra-installs
 619     - .use-gcc7
 620   stage: release-build
 621   variables:
 622     BUILD_DIR: release-builds-gcc
 623   needs:
 624     - job: configure-gcc-7-gmxapi-release
 625       artifacts: true
 626   only:
 627     refs:
 628       - web
 629       - schedules
 630       - triggers
 631     variables:
 632       - $GROMACS_RELEASE
 633
 634 build-gcc-8:
 635   extends:
 636     - .build-extends-template
 637     - .use-gcc8
 638   needs:
 639     - job: simple-build
 640       artifacts: false
 641     - job: configure-gcc-8
 642       artifacts: true
 643   except:
 644     variables:
 645       - $GROMACS_RELEASE
 646
 647 build-gcc-8-release:
 648   extends:
 649     - .build-extends-template
 650     - .use-gcc8
 651   stage: release-build
 652   variables:
 653     BUILD_DIR: release-builds-gcc
 654   needs:
 655     - job: configure-gcc-8-release
 656       artifacts: true
 657   only:
 658     refs:
 659       - web
 660       - schedules
 661       - triggers
 662     variables:
 663       - $GROMACS_RELEASE
 664
 665 build-gcc-8-cuda-10.2:
 666   extends:
 667     - .build-gcc-cuda
 668     - .use-gcc8:cuda-10.2
 669   needs:
 670     - job: simple-build
 671       artifacts: false
 672     - job: configure-gcc-8-cuda-10.2
 673       artifacts: true
 674   except:
 675     variables:
 676       - $GROMACS_RELEASE
 677
 678 .build-clang:
 679   extends:
 680     - .build-extends-template
 681
 682 build-clang-6:
 683   extends:
 684     - .build-clang
 685     - .use-clang6
 686   needs:
 687     - job: simple-build
 688       artifacts: false
 689     - job: configure-clang-6
 690       artifacts: true
 691   except:
 692     variables:
 693       - $GROMACS_RELEASE
 694
 695 build-clang-7:
 696   extends:
 697     - .build-clang
 698     - .use-clang7
 699   needs:
 700     - job: simple-build
 701       artifacts: false
 702     - job: configure-clang-7
 703       artifacts: true
 704   except:
 705     variables:
 706       - $GROMACS_RELEASE
 707
 708 build-clang-7-release:
 709   extends:
 710     - .build-clang
 711     - .use-clang7
 712   stage: release-build
 713   variables:
 714     BUILD_DIR: release-builds-clang
 715   needs:
 716     - job: configure-clang-7-release
 717       artifacts: true
 718   only:
 719     refs:
 720       - web
 721       - schedules
 722       - triggers
 723     variables:
 724       - $GROMACS_RELEASE
 725
 726 build-clang-7-gmxapi:
 727   extends:
 728     - .build-clang
 729     - .gmxapi-extra-installs
 730     - .use-clang7
 731   needs:
 732     - job: simple-build
 733       artifacts: false
 734     - job: configure-clang-7-gmxapi
 735       artifacts: true
 736   except:
 737     variables:
 738       - $GROMACS_RELEASE
 739
 740 build-clang-7-gmxapi-release:
 741   extends:
 742     - .build-clang
 743     - .gmxapi-extra-installs
 744     - .use-clang7
 745   stage: release-build
 746   variables:
 747     BUILD_DIR: release-builds-clang
 748   needs:
 749     - job: configure-clang-7-gmxapi-release
 750       artifacts: true
 751   only:
 752     refs:
 753       - web
 754       - schedules
 755       - triggers
 756     variables:
 757       - $GROMACS_RELEASE
 758
 759 build-clang-8:
 760   extends:
 761     - .build-clang
 762     - .use-clang8
 763   needs:
 764     - job: simple-build
 765       artifacts: false
 766     - job: configure-clang-8
 767       artifacts: true
 768   except:
 769     variables:
 770       - $GROMACS_RELEASE
 771
 772 build-clang-8-release:
 773   extends:
 774     - .build-clang
 775     - .use-clang8
 776   stage: release-build
 777   variables:
 778     BUILD_DIR: release-builds-clang
 779   needs:
 780     - job: configure-clang-8-release
 781       artifacts: true
 782   only:
 783     refs:
 784       - web
 785       - schedules
 786       - triggers
 787     variables:
 788       - $GROMACS_RELEASE
 789
 790
 791 # Jobs running during test stage
 792 .test-script-template:
 793   script:
 794     - cd $BUILD_DIR
 795     - ctest -D ExperimentalTest --output-on-failure | tee ctestLog.log || true
 796     - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
 797       ctestLog.log | tee ctestErrors.log
 798     - xsltproc scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml
 799     - if [ -s ctestErrors.log ] ; then
 800       echo "Error during running ctest";
 801       exit 1;
 802       fi
 803     - cd ..
 804   artifacts:
 805     reports:
 806       junit: $BUILD_DIR/JUnitTestResults.xml
 807     paths:
 808       - $BUILD_DIR/Testing
 809       - $BUILD_DIR/tests
 810     when: always
 811     expire_in: 1 week
 812
 813 .test-extends-template:
 814   stage: test
 815   retry:
 816     max: 2
 817   extends:
 818     - .test-script-template
 819     - .variables:default
 820
 821 .test-gcc-cuda:
 822   extends:
 823     - .test-extends-template
 824     - .cuda-template
 825
 826 test-gcc-7:
 827   extends:
 828     - .test-extends-template
 829     - .use-gcc7
 830   needs:
 831     - job: simple-build
 832       artifacts: false
 833     - job: build-gcc-7
 834   except:
 835     variables:
 836       - $GROMACS_RELEASE
 837
 838 test-gcc-7-release:
 839   extends:
 840     - .test-extends-template
 841     - .use-gcc7
 842   stage: release-tests
 843   variables:
 844     BUILD_DIR: release-builds-gcc
 845   needs:
 846     - job: configure-gcc-7-release
 847       artifacts: true
 848     - job: build-gcc-7-release
 849       artifacts: true
 850   only:
 851     refs:
 852       - triggers
 853       - web
 854       - schedules
 855     variables:
 856       - $GROMACS_RELEASE
 857
 858 test-gcc-7-simd-sse41:
 859   extends:
 860     - .test-extends-template
 861     - .use-gcc7
 862   needs:
 863     - job: simple-build
 864       artifacts: false
 865     - job: build-gcc-7-simd-sse41
 866   except:
 867     variables:
 868       - $GROMACS_RELEASE
 869
 870 test-gcc-7-double:
 871   extends:
 872     - .test-extends-template
 873     - .use-gcc7
 874   needs:
 875     - job: simple-build
 876       artifacts: false
 877     - job: build-gcc-7-double
 878   except:
 879     variables:
 880       - $GROMACS_RELEASE
 881
 882 test-gcc-7-double-release:
 883   extends:
 884     - .test-extends-template
 885     - .use-gcc7
 886   stage: release-tests
 887   variables:
 888     BUILD_DIR: release-builds-gcc
 889   needs:
 890     - job: configure-gcc-7-double-release
 891       artifacts: true
 892     - job: build-gcc-7-double-release
 893       artifacts: true
 894   only:
 895     refs:
 896       - triggers
 897       - web
 898       - schedules
 899     variables:
 900       - $GROMACS_RELEASE
 901
 902 test-gcc-7-gmxapi:
 903   extends:
 904     - .test-extends-template
 905     - .gmxapi-extra-installs
 906     - .use-gcc7
 907   needs:
 908     - job: simple-build
 909       artifacts: false
 910     - job: build-gcc-7-gmxapi
 911   except:
 912     variables:
 913       - $GROMACS_RELEASE
 914
 915 test-gcc-7-gmxapi-release:
 916   extends:
 917     - .test-extends-template
 918     - .gmxapi-extra-installs
 919     - .use-gcc7
 920   stage: release-tests
 921   variables:
 922     BUILD_DIR: release-builds-gcc
 923   needs:
 924     - job: configure-gcc-7-gmxapi-release
 925       artifacts: true
 926     - job: build-gcc-7-gmxapi-release
 927       artifacts: true
 928   only:
 929     refs:
 930       - triggers
 931       - web
 932       - schedules
 933     variables:
 934       - $GROMACS_RELEASE
 935
 936 test-gcc-8:
 937   extends:
 938     - .test-extends-template
 939     - .use-gcc8
 940   needs:
 941     - job: simple-build
 942       artifacts: false
 943     - job: build-gcc-8
 944   except:
 945     variables:
 946       - $GROMACS_RELEASE
 947
 948 test-gcc-8-release:
 949   extends:
 950     - .test-extends-template
 951     - .use-gcc8
 952   stage: release-tests
 953   variables:
 954     BUILD_DIR: release-builds-gcc
 955   needs:
 956     - job: configure-gcc-8-release
 957       artifacts: true
 958     - job: build-gcc-8-release
 959       artifacts: true
 960   only:
 961     refs:
 962       - triggers
 963       - web
 964       - schedules
 965     variables:
 966       - $GROMACS_RELEASE
 967
 968 test-gcc-8-cuda-10.2:
 969   variables:
 970     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
 971     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
 972   extends:
 973     - .test-gcc-cuda
 974     - .use-gcc8:cuda-10.2
 975   needs:
 976     - job: simple-build
 977       artifacts: false
 978     - job: build-gcc-8-cuda-10.2
 979   except:
 980     variables:
 981       - $GROMACS_RELEASE
 982
 983 test-clang-6:
 984   extends:
 985     - .test-extends-template
 986     - .use-clang6
 987   needs:
 988     - job: simple-build
 989       artifacts: false
 990     - job: build-clang-6
 991   except:
 992     variables:
 993       - $GROMACS_RELEASE
 994
 995 test-clang-7:
 996   extends:
 997     - .test-extends-template
 998     - .use-clang7
 999   needs:
1000     - job: simple-build
1001       artifacts: false
1002     - job: build-clang-7
1003   except:
1004     variables:
1005       - $GROMACS_RELEASE
1006
1007 test-clang-7-release:
1008   extends:
1009     - .test-extends-template
1010     - .use-clang7
1011   stage: release-tests
1012   variables:
1013     BUILD_DIR: release-builds-clang
1014   needs:
1015     - job: configure-clang-7-release
1016       artifacts: true
1017     - job: build-clang-7-release
1018       artifacts: true
1019   only:
1020     refs:
1021       - triggers
1022       - web
1023       - schedules
1024     variables:
1025       - $GROMACS_RELEASE
1026
1027 test-clang-7-gmxapi:
1028   extends:
1029     - .test-extends-template
1030     - .gmxapi-extra-installs
1031     - .use-clang7
1032   needs:
1033     - job: simple-build
1034       artifacts: false
1035     - job: build-clang-7-gmxapi
1036   except:
1037     variables:
1038       - $GROMACS_RELEASE
1039
1040 test-clang-7-gmxapi-release:
1041   extends:
1042     - .test-extends-template
1043     - .gmxapi-extra-installs
1044     - .use-clang7
1045   stage: release-tests
1046   variables:
1047     BUILD_DIR: release-builds-clang
1048   needs:
1049     - job: configure-clang-7-gmxapi-release
1050       artifacts: true
1051     - job: build-clang-7-gmxapi-release
1052       artifacts: true
1053   only:
1054     refs:
1055       - triggers
1056       - web
1057       - schedules
1058     variables:
1059       - $GROMACS_RELEASE
1060
1061 test-clang-8:
1062   extends:
1063     - .test-extends-template
1064     - .use-clang8
1065   needs:
1066     - job: simple-build
1067       artifacts: false
1068     - job: build-clang-8
1069   except:
1070     variables:
1071       - $GROMACS_RELEASE
1072
1073 test-clang-8-release:
1074   extends:
1075     - .test-extends-template
1076     - .use-clang8
1077   stage: release-tests
1078   variables:
1079     BUILD_DIR: release-builds-clang
1080   needs:
1081     - job: configure-clang-8-release
1082       artifacts: true
1083     - job: build-clang-8-release
1084       artifacts: true
1085   only:
1086     refs:
1087       - triggers
1088       - web
1089       - schedules
1090     variables:
1091       - $GROMACS_RELEASE