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

   1
   2 .simple-build-template:
   3   # Docker images are from dockerhub, user eriklindahl
   4   stage: pre-build
   5   image: biophysics/gcc-gromacs
   6   variables:
   7     KUBERNETES_CPU_LIMIT: 8
   8     KUBERNETES_CPU_REQUEST: 4
   9     KUBERNETES_MEMORY_LIMIT: 8Gi
  10     CMAKE_COMPILER_SCRIPT: ""
  11     CMAKE_EXTRA_OPTIONS: ""
  12     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
  13     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
  14     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
  15     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
  16     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
  17     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
  18
  19   script:
  20     - echo $CMAKE_COMPILER_SCRIPT
  21     - echo $CMAKE_EXTRA_OPTIONS
  22     - echo $CMAKE_SIMD_OPTIONS
  23     - echo $CMAKE_GPU_OPTIONS
  24     - echo $CMAKE_MPI_OPTIONS
  25     - echo $CMAKE_PRECISION_OPTIONS
  26     - echo $CMAKE_BUILD_TYPE_OPTIONS
  27     - echo $CMAKE_GMXAPI_OPTIONS
  28     - if [[ -d $BUILD_DIR ]] ; then
  29       echo "Cleaning up build directory" ;
  30       rm -rf $BUILD_DIR && mkdir $BUILD_DIR ;
  31       else
  32       echo "Preparing new build directory" ;
  33       mkdir $BUILD_DIR ;
  34       fi
  35     - cd $BUILD_DIR
  36     - cmake ..
  37       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
  38       $CMAKE_COMPILER_SCRIPT
  39       $CMAKE_EXTRA_OPTIONS
  40       $CMAKE_SIMD_OPTIONS
  41       $CMAKE_MPI_OPTIONS
  42       $CMAKE_PRECISION_OPTIONS
  43       $CMAKE_BUILD_TYPE_OPTIONS
  44       $CMAKE_GPU_OPTIONS
  45       $CMAKE_GMXAPI_OPTIONS
  46       -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
  47       2>&1 | tee cmakeLog.log
  48     - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
  49     - if [ -s cmakeErrors.log  ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
  50     - cmake --build . -- -j8 2>&1 | tee buildLogFile.log
  51     - cmake --build . --target tests -- -j8 2>&1 | tee testBuildLogFile.log
  52     - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
  53       | grep -v "CMake" | tee buildErrors.log || true
  54     - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
  55     - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
  56     - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
  57     - ctest -D ExperimentalTest --output-on-failure | tee ctestLog.log || true
  58     - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
  59       ctestLog.log | tee ctestErrors.log
  60     - xsltproc scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml
  61     - if [ -s ctestErrors.log ] ; then
  62       echo "Error during running ctest";
  63       exit 1;
  64       fi
  65     - cd ..
  66   artifacts:
  67     reports:
  68       junit: $BUILD_DIR/JUnitTestResults.xml
  69     paths:
  70       - $BUILD_DIR/*log
  71     when: always
  72     expire_in: 1 week
  73
  74 # Initial build that always needs to pass before follow-up stages run
  75 simple-build:
  76   extends:
  77     - .simple-build-template
  78     - .use-ccache
  79     - .variables:default
  80     - .use-gcc7
  81   variables:
  82     BUILD_DIR: simple-build
  83   except:
  84     variables:
  85       - $GROMACS_RELEASE
  86
  87 # Jobs running in first pre-build stage
  88 .configure-build-template:
  89   # Docker image uploaded to dockerhub by user eriklindahl
  90   # TODO: Get DockerFile for admin/dockerfiles
  91   stage: configure-build
  92   image: biophysics/gcc-gromacs
  93   variables:
  94     KUBERNETES_CPU_LIMIT: 1
  95     KUBERNETES_CPU_REQUEST: 1
  96     KUBERNETES_MEMORY_LIMIT: 2Gi
  97     CMAKE_COMPILER_SCRIPT: ""
  98     CMAKE_EXTRA_OPTIONS: ""
  99     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
 100     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
 101     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
 102     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
 103     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
 104     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
 105
 106   script:
 107     - echo $CMAKE_COMPILER_SCRIPT
 108     - echo $CMAKE_EXTRA_OPTIONS
 109     - echo $CMAKE_SIMD_OPTIONS
 110     - echo $CMAKE_GPU_OPTIONS
 111     - echo $CMAKE_MPI_OPTIONS
 112     - echo $CMAKE_PRECISION_OPTIONS
 113     - echo $CMAKE_BUILD_TYPE_OPTIONS
 114     - echo $CMAKE_GMXAPI_OPTIONS
 115     - if [[ -d $BUILD_DIR ]] ; then
 116       rm -rf $BUILD_DIR && mkdir $BUILD_DIR ;
 117       else
 118       echo "Preparing new build directory" ;
 119       mkdir $BUILD_DIR ;
 120       fi
 121     - cd $BUILD_DIR
 122     - cmake ..
 123       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
 124       $CMAKE_COMPILER_SCRIPT
 125       $CMAKE_EXTRA_OPTIONS
 126       $CMAKE_SIMD_OPTIONS
 127       $CMAKE_MPI_OPTIONS
 128       $CMAKE_PRECISION_OPTIONS
 129       $CMAKE_BUILD_TYPE_OPTIONS
 130       $CMAKE_GPU_OPTIONS
 131       $CMAKE_GMXAPI_OPTIONS
 132       -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
 133       2>&1 | tee cmakeLog.log
 134     - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
 135     - if [ -s cmakeErrors.log  ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
 136     - cd ..
 137   artifacts:
 138     when: always
 139     paths:
 140       - $BUILD_DIR
 141
 142 .configure-build-release-template:
 143   # Dockerfiles are from dockerhub, user eriklindahl
 144   # image in admin/dockerimages/ci-docs-py27
 145   stage: release-configure
 146   image: biophysics/gcc-gromacs
 147   variables:
 148     KUBERNETES_CPU_LIMIT: 1
 149     KUBERNETES_CPU_REQUEST: 1
 150     KUBERNETES_MEMORY_LIMIT: 2Gi
 151     CMAKE_COMPILER_SCRIPT: ""
 152     CMAKE_EXTRA_OPTIONS: ""
 153     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
 154     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
 155     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
 156     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
 157     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
 158     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
 159     RELEASE_BUILD_DIR: release-builds
 160     RELEASE_SOURCE: release-source-from-tarball
 161     RELEASE_REGRESSIONTESTS: release-regressiontests-from-tarball
 162
 163   only:
 164     refs:
 165       - web
 166       - schedules
 167       - triggers
 168     variables:
 169       - $GROMACS_RELEASE
 170   script:
 171     - VERSION=`cat version.json |
 172       python3 -c "import json,sys; print(json.load(sys.stdin)['version'])"`
 173     - if [[ $GROMACS_RELEASE != "true" ]] ; then
 174       VERSION=$VERSION-dev ;
 175       fi
 176     - SOURCENAME=gromacs-$VERSION
 177     - SOURCETARBALL=$SOURCENAME.tar.gz
 178     - REGTESTNAME=regressiontests-$VERSION
 179     - REGTESTTARBALL=$REGTESTNAME.tar.gz
 180     - echo "$SOURCETARBALL"
 181     - echo "$REGTESTTARBALL"
 182     - RELEASE_TARBALLS=release-tarballs
 183     - rm -rf $RELEASE_TARBALLS $RELEASE_SOURCE $RELEASE_REGRESSIONTESTS && mkdir $RELEASE_TARBALLS
 184     - mv $SOURCETARBALL $RELEASE_TARBALLS
 185     - mv $REGTESTTARBALL $RELEASE_TARBALLS
 186     - cd $RELEASE_TARBALLS
 187     # We rename the source and regressiontest directories
 188     # to have names for them that don't change for different versions.
 189     - tar -xf $SOURCETARBALL
 190     - mv $SOURCENAME ../$RELEASE_SOURCE
 191     - tar -xf $REGTESTTARBALL
 192     - mv $REGTESTNAME ../$RELEASE_REGRESSIONTESTS
 193     - rm $SOURCETARBALL $REGTESTTARBALL
 194     - cd ..
 195     - echo $CMAKE_COMPILER_SCRIPT
 196     - echo $CMAKE_EXTRA_OPTIONS
 197     - echo $CMAKE_SIMD_OPTIONS
 198     - echo $CMAKE_GPU_OPTIONS
 199     - echo $CMAKE_MPI_OPTIONS
 200     - echo $CMAKE_PRECISION_OPTIONS
 201     - echo $CMAKE_BUILD_TYPE_OPTIONS
 202     - echo $CMAKE_GMXAPI_OPTIONS
 203     - if [[ -d $RELEASE_BUILD_DIR ]] ; then
 204       echo "Cleaning up build directory" ;
 205       rm -rf $RELEASE_BUILD_DIR && mkdir $RELEASE_BUILD_DIR ;
 206       else
 207       echo "Preparing new build directory" ;
 208       mkdir $RELEASE_BUILD_DIR ;
 209       fi
 210     - cd $RELEASE_BUILD_DIR
 211     - cmake ../$RELEASE_SOURCE/
 212       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
 213       $CMAKE_COMPILER_SCRIPT
 214       $CMAKE_EXTRA_OPTIONS
 215       $CMAKE_SIMD_OPTIONS
 216       $CMAKE_MPI_OPTIONS
 217       $CMAKE_PRECISION_OPTIONS
 218       $CMAKE_BUILD_TYPE_OPTIONS
 219       $CMAKE_GPU_OPTIONS
 220       $CMAKE_GMXAPI_OPTIONS
 221       "-DREGRESSIONTEST_PATH=../$RELEASE_REGRESSIONTESTS"
 222       -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
 223       2>&1 | tee cmakeLog.log
 224     - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
 225     - if [ -s cmakeErrors.log  ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
 226     - cd ..
 227   artifacts:
 228     when: always
 229     paths:
 230       - $RELEASE_BUILD_DIR
 231       - $RELEASE_REGRESSIONTESTS
 232       - $RELEASE_SOURCE
 233
 234 .configure-extends-template:
 235   extends:
 236     - .configure-build-template
 237     - .variables:default
 238   cache: {}
 239
 240 .configure-release-extends-template:
 241   extends:
 242     - .configure-build-release-template
 243     - .variables:default
 244   cache: {}
 245
 246 # Templates for configuration stage
 247 .configure-gcc:
 248   extends:
 249     - .configure-extends-template
 250
 251 .configure-gcc-release:
 252   extends:
 253     - .configure-release-extends-template
 254
 255 .configure-gcc-cuda:
 256   extends:
 257     - .configure-gcc
 258     - .cuda-template
 259
 260 configure-gcc-7:
 261   extends:
 262     - .configure-gcc
 263     - .use-gcc7
 264   needs:
 265     - job: simple-build
 266       artifacts: false
 267   except:
 268     variables:
 269       - $GROMACS_RELEASE
 270
 271 configure-gcc-7-release:
 272   extends:
 273     - .configure-gcc-release
 274     - .use-gcc7
 275   cache: {}
 276   variables:
 277     RELEASE_BUILD_DIR: release-builds-gcc
 278   only:
 279     refs:
 280       - web
 281       - schedules
 282       - triggers
 283     variables:
 284       - $GROMACS_RELEASE
 285   dependencies:
 286     - package-archive-release
 287     - package-regressiontests-release
 288     - prepare-release-version
 289
 290 configure-gcc-7-simd-sse41:
 291   extends:
 292     - .configure-gcc
 293     - .use-gcc7
 294   needs:
 295     - job: simple-build
 296       artifacts: false
 297   variables:
 298     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
 299   except:
 300     variables:
 301       - $GROMACS_RELEASE
 302
 303 configure-gcc-7-double:
 304   extends:
 305     - .configure-gcc
 306     - .use-gcc7
 307   needs:
 308     - job: simple-build
 309       artifacts: false
 310   variables:
 311     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
 312   except:
 313     variables:
 314       - $GROMACS_RELEASE
 315
 316 configure-gcc-7-double-release:
 317   extends:
 318     - .configure-gcc-release
 319     - .use-gcc7
 320   cache: {}
 321   variables:
 322     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
 323     RELEASE_BUILD_DIR: release-builds-gcc
 324   only:
 325     refs:
 326       - web
 327       - schedules
 328       - triggers
 329     variables:
 330       - $GROMACS_RELEASE
 331   dependencies:
 332     - package-archive-release
 333     - package-regressiontests-release
 334     - prepare-release-version
 335
 336 configure-gcc-7-gmxapi:
 337   extends:
 338     - .configure-gcc
 339     - .configure-gmxapi-template
 340     - .use-gcc7
 341   needs:
 342     - job: simple-build
 343       artifacts: false
 344   except:
 345     variables:
 346       - $GROMACS_RELEASE
 347
 348 configure-gcc-7-gmxapi-release:
 349   extends:
 350     - .configure-gcc-release
 351     - .configure-gmxapi-template
 352     - .use-gcc7
 353   cache: {}
 354   variables:
 355     RELEASE_BUILD_DIR: release-builds-gcc
 356   only:
 357     refs:
 358       - web
 359       - schedules
 360       - triggers
 361     variables:
 362       - $GROMACS_RELEASE
 363   dependencies:
 364     - package-archive-release
 365     - package-regressiontests-release
 366     - prepare-release-version
 367
 368 configure-gcc-8:
 369   extends:
 370     - .configure-gcc
 371     - .use-gcc8
 372   needs:
 373     - job: simple-build
 374       artifacts: false
 375   except:
 376     variables:
 377       - $GROMACS_RELEASE
 378
 379 configure-gcc-8-release:
 380   extends:
 381     - .configure-gcc-release
 382     - .use-gcc8
 383   cache: {}
 384   variables:
 385     RELEASE_BUILD_DIR: release-builds-gcc
 386   only:
 387     refs:
 388       - web
 389       - schedules
 390       - triggers
 391     variables:
 392       - $GROMACS_RELEASE
 393   dependencies:
 394     - package-archive-release
 395     - package-regressiontests-release
 396     - prepare-release-version
 397
 398 configure-gcc-8-cuda-10.2:
 399   extends:
 400     - .configure-gcc-cuda
 401     - .use-gcc8:cuda-10.2
 402   needs:
 403     - job: simple-build
 404       artifacts: false
 405   except:
 406     variables:
 407       - $GROMACS_RELEASE
 408
 409 .configure-clang:
 410   extends:
 411     - .configure-extends-template
 412
 413 .configure-clang-release:
 414   extends:
 415     - .configure-release-extends-template
 416
 417 # For version of clang before 7, we need to always provide the full version
 418 # Use something like this instead in the download script:
 419 # APT_COMPILER_VERSION=$(($COMPILER_MAJOR_VERSION < 7 ? "${COMPILER_MAJOR_VERSION}.0" : $COMPILER_MAJOR_VERSION))
 420 configure-clang-6:
 421   extends:
 422     - .configure-clang
 423     - .use-clang6
 424   needs:
 425     - job: simple-build
 426       artifacts: false
 427   variables:
 428     COMPILER_MAJOR_VERSION: "6.0"
 429     CMAKE_MPI_OPTIONS: -DGMX_OPENMP=OFF
 430   except:
 431     variables:
 432       - $GROMACS_RELEASE
 433
 434 configure-clang-7:
 435   extends:
 436     - .configure-clang
 437     - .use-clang7
 438   needs:
 439     - job: simple-build
 440       artifacts: false
 441   except:
 442     variables:
 443       - $GROMACS_RELEASE
 444
 445 configure-clang-7-release:
 446   extends:
 447     - .configure-clang-release
 448     - .use-clang7
 449   cache: {}
 450   variables:
 451     RELEASE_BUILD_DIR: release-builds-clang
 452   only:
 453     refs:
 454       - web
 455       - schedules
 456       - triggers
 457     variables:
 458       - $GROMACS_RELEASE
 459   dependencies:
 460     - package-archive-release
 461     - package-regressiontests-release
 462     - prepare-release-version
 463
 464 configure-clang-7-gmxapi:
 465   extends:
 466     - .configure-clang
 467     - .configure-gmxapi-template
 468     - .use-clang7
 469   needs:
 470     - job: simple-build
 471       artifacts: false
 472   except:
 473     variables:
 474       - $GROMACS_RELEASE
 475
 476 configure-clang-7-gmxapi-release:
 477   extends:
 478     - .configure-clang-release
 479     - .configure-gmxapi-template
 480     - .use-clang7
 481   cache: {}
 482   variables:
 483     RELEASE_BUILD_DIR: release-builds-clang
 484   only:
 485     refs:
 486       - web
 487       - schedules
 488       - triggers
 489     variables:
 490       - $GROMACS_RELEASE
 491   dependencies:
 492     - package-archive-release
 493     - package-regressiontests-release
 494     - prepare-release-version
 495
 496 configure-clang-8:
 497   extends:
 498     - .configure-clang
 499     - .use-clang8
 500   needs:
 501     - job: simple-build
 502       artifacts: false
 503   except:
 504     variables:
 505       - $GROMACS_RELEASE
 506
 507 configure-clang-8-release:
 508   extends:
 509     - .configure-clang-release
 510     - .use-clang8
 511   cache: {}
 512   variables:
 513     RELEASE_BUILD_DIR: release-builds-clang
 514   only:
 515     refs:
 516       - web
 517       - schedules
 518       - triggers
 519     variables:
 520       - $GROMACS_RELEASE
 521   dependencies:
 522     - package-archive-release
 523     - package-regressiontests-release
 524     - prepare-release-version
 525
 526 # Jobs running during build stage
 527
 528 .binary-build-template:
 529   # Dockerfiles are from dockerhub, user eriklindahl
 530   # image in admin/dockerimages/ci-docs-py27
 531   stage: build
 532   image: biophysics/gcc-gromacs
 533   variables:
 534
 535   script:
 536     - cd $BUILD_DIR
 537     - cmake --build . -- -j8 2>&1 | tee buildLogFile.log
 538     - cmake --build . --target tests -- -j8 2>&1 | tee testBuildLogFile.log
 539     - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
 540       | grep -v "CMake" | tee buildErrors.log || true
 541     - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
 542     - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
 543     - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
 544     - cd ..
 545   artifacts:
 546     when: always
 547     paths:
 548       - $BUILD_DIR
 549       - $INSTALL_DIR/
 550
 551 .build-extends-template:
 552   extends:
 553     - .binary-build-template
 554     - .use-ccache
 555     - .variables:default
 556
 557 .build-gcc:
 558   extends:
 559     - .build-extends-template
 560
 561 .build-gcc-cuda:
 562   extends:
 563     - .build-gcc
 564     - .cuda-template
 565
 566 build-gcc-7:
 567   extends:
 568     - .build-gcc
 569     - .use-gcc7
 570   needs:
 571     - job: simple-build
 572       artifacts: false
 573     - job: configure-gcc-7
 574       artifacts: true
 575   except:
 576     variables:
 577       - $GROMACS_RELEASE
 578
 579 build-gcc-7-release:
 580   extends:
 581     - .build-gcc
 582     - .use-gcc7
 583   stage: release-build
 584   variables:
 585     BUILD_DIR: release-builds-gcc
 586   needs:
 587     - job: configure-gcc-7-release
 588       artifacts: true
 589   only:
 590     refs:
 591       - web
 592       - schedules
 593       - triggers
 594     variables:
 595       - $GROMACS_RELEASE
 596
 597 build-gcc-7-simd-sse41:
 598   extends:
 599     - .build-gcc
 600     - .use-gcc7
 601   needs:
 602     - job: simple-build
 603       artifacts: false
 604     - job: configure-gcc-7-simd-sse41
 605       artifacts: true
 606   except:
 607     variables:
 608       - $GROMACS_RELEASE
 609
 610 build-gcc-7-double:
 611   extends:
 612     - .build-gcc
 613     - .use-gcc7
 614   needs:
 615     - job: simple-build
 616       artifacts: false
 617     - job: configure-gcc-7-double
 618       artifacts: true
 619   except:
 620     variables:
 621       - $GROMACS_RELEASE
 622
 623 build-gcc-7-gmxapi:
 624   extends:
 625     - .build-gcc
 626     - .gmxapi-extra-installs
 627     - .use-gcc7
 628   needs:
 629     - job: simple-build
 630       artifacts: false
 631     - job: configure-gcc-7-gmxapi
 632       artifacts: true
 633   except:
 634     variables:
 635       - $GROMACS_RELEASE
 636
 637 build-gcc-7-double-release:
 638   extends:
 639     - .build-gcc
 640     - .use-gcc7
 641   stage: release-build
 642   variables:
 643     BUILD_DIR: release-builds-gcc
 644   needs:
 645     - job: configure-gcc-7-double-release
 646       artifacts: true
 647   only:
 648     refs:
 649       - web
 650       - schedules
 651       - triggers
 652     variables:
 653       - $GROMACS_RELEASE
 654
 655 build-gcc-7-gmxapi-release:
 656   extends:
 657     - .build-gcc
 658     - .gmxapi-extra-installs
 659     - .use-gcc7
 660   stage: release-build
 661   variables:
 662     BUILD_DIR: release-builds-gcc
 663   needs:
 664     - job: configure-gcc-7-gmxapi-release
 665       artifacts: true
 666   only:
 667     refs:
 668       - web
 669       - schedules
 670       - triggers
 671     variables:
 672       - $GROMACS_RELEASE
 673
 674 build-gcc-8:
 675   extends:
 676     - .build-gcc
 677     - .use-gcc8
 678   needs:
 679     - job: simple-build
 680       artifacts: false
 681     - job: configure-gcc-8
 682       artifacts: true
 683   except:
 684     variables:
 685       - $GROMACS_RELEASE
 686
 687 build-gcc-8-release:
 688   extends:
 689     - .build-gcc
 690     - .use-gcc8
 691   stage: release-build
 692   variables:
 693     BUILD_DIR: release-builds-gcc
 694   needs:
 695     - job: configure-gcc-8-release
 696       artifacts: true
 697   only:
 698     refs:
 699       - web
 700       - schedules
 701       - triggers
 702     variables:
 703       - $GROMACS_RELEASE
 704
 705 build-gcc-8-cuda-10.2:
 706   extends:
 707     - .build-gcc-cuda
 708     - .use-gcc8:cuda-10.2
 709   needs:
 710     - job: simple-build
 711       artifacts: false
 712     - job: configure-gcc-8-cuda-10.2
 713       artifacts: true
 714   except:
 715     variables:
 716       - $GROMACS_RELEASE
 717
 718 .build-clang:
 719   extends:
 720     - .build-extends-template
 721
 722 build-clang-6:
 723   extends:
 724     - .build-clang
 725     - .use-clang6
 726   needs:
 727     - job: simple-build
 728       artifacts: false
 729     - job: configure-clang-6
 730       artifacts: true
 731   except:
 732     variables:
 733       - $GROMACS_RELEASE
 734
 735 build-clang-7:
 736   extends:
 737     - .build-clang
 738     - .use-clang7
 739   needs:
 740     - job: simple-build
 741       artifacts: false
 742     - job: configure-clang-7
 743       artifacts: true
 744   except:
 745     variables:
 746       - $GROMACS_RELEASE
 747
 748 build-clang-7-release:
 749   extends:
 750     - .build-clang
 751     - .use-clang7
 752   stage: release-build
 753   variables:
 754     BUILD_DIR: release-builds-clang
 755   needs:
 756     - job: configure-clang-7-release
 757       artifacts: true
 758   only:
 759     refs:
 760       - web
 761       - schedules
 762       - triggers
 763     variables:
 764       - $GROMACS_RELEASE
 765
 766 build-clang-7-gmxapi:
 767   extends:
 768     - .build-clang
 769     - .gmxapi-extra-installs
 770     - .use-clang7
 771   needs:
 772     - job: simple-build
 773       artifacts: false
 774     - job: configure-clang-7-gmxapi
 775       artifacts: true
 776   except:
 777     variables:
 778       - $GROMACS_RELEASE
 779
 780 build-clang-7-gmxapi-release:
 781   extends:
 782     - .build-clang
 783     - .gmxapi-extra-installs
 784     - .use-clang7
 785   stage: release-build
 786   variables:
 787     BUILD_DIR: release-builds-clang
 788   needs:
 789     - job: configure-clang-7-gmxapi-release
 790       artifacts: true
 791   only:
 792     refs:
 793       - web
 794       - schedules
 795       - triggers
 796     variables:
 797       - $GROMACS_RELEASE
 798
 799 build-clang-8:
 800   extends:
 801     - .build-clang
 802     - .use-clang8
 803   needs:
 804     - job: simple-build
 805       artifacts: false
 806     - job: configure-clang-8
 807       artifacts: true
 808   except:
 809     variables:
 810       - $GROMACS_RELEASE
 811
 812 build-clang-8-release:
 813   extends:
 814     - .build-clang
 815     - .use-clang8
 816   stage: release-build
 817   variables:
 818     BUILD_DIR: release-builds-clang
 819   needs:
 820     - job: configure-clang-8-release
 821       artifacts: true
 822   only:
 823     refs:
 824       - web
 825       - schedules
 826       - triggers
 827     variables:
 828       - $GROMACS_RELEASE
 829
 830
 831 # Jobs running during test stage
 832 .test-base-template:
 833   variables:
 834     BUILD_DIR: build
 835   # Docker image uploaded to dockerhub by user eriklindahl
 836   # TODO: Get DockerFile for admin/dockerfiles
 837   image: biophysics/gcc-gromacs
 838   stage: test
 839   retry:
 840     max: 2
 841
 842 .test-script-template:
 843   script:
 844     - cd $BUILD_DIR
 845     - ctest -D ExperimentalTest --output-on-failure | tee ctestLog.log || true
 846     - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
 847       ctestLog.log | tee ctestErrors.log
 848     - xsltproc scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml
 849     - if [ -s ctestErrors.log ] ; then
 850       echo "Error during running ctest";
 851       exit 1;
 852       fi
 853     - cd ..
 854   artifacts:
 855     reports:
 856       junit: $BUILD_DIR/JUnitTestResults.xml
 857     paths:
 858       - $BUILD_DIR/Testing
 859       - $BUILD_DIR/tests
 860     when: always
 861     expire_in: 1 week
 862
 863 .test-extends-template:
 864   extends:
 865     - .test-base-template
 866     - .test-script-template
 867     - .variables:default
 868
 869 .test-gcc-template:
 870   variables:
 871     BUILD_DIR: build-gcc
 872
 873 .test-gcc:
 874   extends:
 875     - .test-extends-template
 876     - .test-gcc-template
 877
 878 .test-gcc-cuda:
 879   extends:
 880     - .test-gcc
 881     - .cuda-template
 882
 883 test-gcc-7:
 884   extends:
 885     - .test-gcc
 886     - .use-gcc7
 887   needs:
 888     - job: simple-build
 889       artifacts: false
 890     - job: build-gcc-7
 891   except:
 892     variables:
 893       - $GROMACS_RELEASE
 894
 895 test-gcc-7-release:
 896   extends:
 897     - .test-gcc
 898     - .use-gcc7
 899   stage: release-tests
 900   variables:
 901     BUILD_DIR: release-builds-gcc
 902   needs:
 903     - job: configure-gcc-7-release
 904       artifacts: true
 905     - job: build-gcc-7-release
 906       artifacts: true
 907   only:
 908     refs:
 909       - triggers
 910       - web
 911       - schedules
 912     variables:
 913       - $GROMACS_RELEASE
 914
 915 test-gcc-7-simd-sse41:
 916   extends:
 917     - .test-gcc
 918     - .use-gcc7
 919   needs:
 920     - job: simple-build
 921       artifacts: false
 922     - job: build-gcc-7-simd-sse41
 923   except:
 924     variables:
 925       - $GROMACS_RELEASE
 926
 927 test-gcc-7-double:
 928   extends:
 929     - .test-gcc
 930     - .use-gcc7
 931   needs:
 932     - job: simple-build
 933       artifacts: false
 934     - job: build-gcc-7-double
 935   except:
 936     variables:
 937       - $GROMACS_RELEASE
 938
 939 test-gcc-7-double-release:
 940   extends:
 941     - .test-gcc
 942     - .use-gcc7
 943   stage: release-tests
 944   variables:
 945     BUILD_DIR: release-builds-gcc
 946   needs:
 947     - job: configure-gcc-7-double-release
 948       artifacts: true
 949     - job: build-gcc-7-double-release
 950       artifacts: true
 951   only:
 952     refs:
 953       - triggers
 954       - web
 955       - schedules
 956     variables:
 957       - $GROMACS_RELEASE
 958
 959 test-gcc-7-gmxapi:
 960   extends:
 961     - .test-gcc
 962     - .gmxapi-extra-installs
 963     - .use-gcc7
 964   needs:
 965     - job: simple-build
 966       artifacts: false
 967     - job: build-gcc-7-gmxapi
 968   except:
 969     variables:
 970       - $GROMACS_RELEASE
 971
 972 test-gcc-7-gmxapi-release:
 973   extends:
 974     - .test-gcc
 975     - .gmxapi-extra-installs
 976     - .use-gcc7
 977   stage: release-tests
 978   variables:
 979     BUILD_DIR: release-builds-gcc
 980   needs:
 981     - job: configure-gcc-7-gmxapi-release
 982       artifacts: true
 983     - job: build-gcc-7-gmxapi-release
 984       artifacts: true
 985   only:
 986     refs:
 987       - triggers
 988       - web
 989       - schedules
 990     variables:
 991       - $GROMACS_RELEASE
 992
 993 test-gcc-8:
 994   extends:
 995     - .test-gcc
 996     - .use-gcc8
 997   needs:
 998     - job: simple-build
 999       artifacts: false
1000     - job: build-gcc-8
1001   except:
1002     variables:
1003       - $GROMACS_RELEASE
1004
1005 test-gcc-8-release:
1006   extends:
1007     - .test-gcc
1008     - .use-gcc8
1009   stage: release-tests
1010   variables:
1011     BUILD_DIR: release-builds-gcc
1012   needs:
1013     - job: configure-gcc-8-release
1014       artifacts: true
1015     - job: build-gcc-8-release
1016       artifacts: true
1017   only:
1018     refs:
1019       - triggers
1020       - web
1021       - schedules
1022     variables:
1023       - $GROMACS_RELEASE
1024
1025 test-gcc-8-cuda-10.2:
1026   variables:
1027     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
1028     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
1029   extends:
1030     - .test-gcc-cuda
1031     - .use-gcc8:cuda-10.2
1032   needs:
1033     - job: simple-build
1034       artifacts: false
1035     - job: build-gcc-8-cuda-10.2
1036   except:
1037     variables:
1038       - $GROMACS_RELEASE
1039
1040 .test-clang-template:
1041   variables:
1042     BUILD_DIR: build-clang
1043
1044 .test-clang:
1045   extends:
1046     - .test-extends-template
1047     - .test-clang-template
1048
1049 test-clang-6:
1050   extends:
1051     - .test-clang
1052     - .use-clang6
1053   needs:
1054     - job: simple-build
1055       artifacts: false
1056     - job: build-clang-6
1057   except:
1058     variables:
1059       - $GROMACS_RELEASE
1060
1061 test-clang-7:
1062   extends:
1063     - .test-clang
1064     - .use-clang7
1065   needs:
1066     - job: simple-build
1067       artifacts: false
1068     - job: build-clang-7
1069   except:
1070     variables:
1071       - $GROMACS_RELEASE
1072
1073 test-clang-7-release:
1074   extends:
1075     - .test-clang
1076     - .use-clang7
1077   stage: release-tests
1078   variables:
1079     BUILD_DIR: release-builds-clang
1080   needs:
1081     - job: configure-clang-7-release
1082       artifacts: true
1083     - job: build-clang-7-release
1084       artifacts: true
1085   only:
1086     refs:
1087       - triggers
1088       - web
1089       - schedules
1090     variables:
1091       - $GROMACS_RELEASE
1092
1093 test-clang-7-gmxapi:
1094   extends:
1095     - .test-clang
1096     - .gmxapi-extra-installs
1097     - .use-clang7
1098   needs:
1099     - job: simple-build
1100       artifacts: false
1101     - job: build-clang-7-gmxapi
1102   except:
1103     variables:
1104       - $GROMACS_RELEASE
1105
1106 test-clang-7-gmxapi-release:
1107   extends:
1108     - .test-clang
1109     - .gmxapi-extra-installs
1110     - .use-clang7
1111   stage: release-tests
1112   variables:
1113     BUILD_DIR: release-builds-clang
1114   needs:
1115     - job: configure-clang-7-gmxapi-release
1116       artifacts: true
1117     - job: build-clang-7-gmxapi-release
1118       artifacts: true
1119   only:
1120     refs:
1121       - triggers
1122       - web
1123       - schedules
1124     variables:
1125       - $GROMACS_RELEASE
1126
1127 test-clang-8:
1128   extends:
1129     - .test-clang
1130     - .use-clang8
1131   needs:
1132     - job: simple-build
1133       artifacts: false
1134     - job: build-clang-8
1135   except:
1136     variables:
1137       - $GROMACS_RELEASE
1138
1139 test-clang-8-release:
1140   extends:
1141     - .test-clang
1142     - .use-clang8
1143   stage: release-tests
1144   variables:
1145     BUILD_DIR: release-builds-clang
1146   needs:
1147     - job: configure-clang-8-release
1148       artifacts: true
1149     - job: build-clang-8-release
1150       artifacts: true
1151   only:
1152     refs:
1153       - triggers
1154       - web
1155       - schedules
1156     variables:
1157       - $GROMACS_RELEASE