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     - .build-cache-template
  79     - .variables:default
  80     - .gcc-before-script-template
  81     - .build-gcc-template
  82     - .gcc7-template
  83   variables:
  84     COMPILER_MAJOR_VERSION: 7
  85     BUILD_DIR: simple-build
  86   except:
  87     variables:
  88       - $GROMACS_RELEASE
  89
  90 # Jobs running in first pre-build stage
  91 .configure-build-template:
  92   # Docker image uploaded to dockerhub by user eriklindahl
  93   # TODO: Get DockerFile for admin/dockerfiles
  94   stage: configure-build
  95   image: biophysics/gcc-gromacs
  96   variables:
  97     KUBERNETES_CPU_LIMIT: 1
  98     KUBERNETES_CPU_REQUEST: 1
  99     KUBERNETES_MEMORY_LIMIT: 2Gi
 100     CMAKE_COMPILER_SCRIPT: ""
 101     CMAKE_EXTRA_OPTIONS: ""
 102     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
 103     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
 104     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
 105     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
 106     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
 107     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
 108
 109   script:
 110     - echo $CMAKE_COMPILER_SCRIPT
 111     - echo $CMAKE_EXTRA_OPTIONS
 112     - echo $CMAKE_SIMD_OPTIONS
 113     - echo $CMAKE_GPU_OPTIONS
 114     - echo $CMAKE_MPI_OPTIONS
 115     - echo $CMAKE_PRECISION_OPTIONS
 116     - echo $CMAKE_BUILD_TYPE_OPTIONS
 117     - echo $CMAKE_GMXAPI_OPTIONS
 118     - if [[ -d $BUILD_DIR ]] ; then
 119       rm -rf $BUILD_DIR && mkdir $BUILD_DIR ;
 120       else
 121       echo "Preparing new build directory" ;
 122       mkdir $BUILD_DIR ;
 123       fi
 124     - cd $BUILD_DIR
 125     - cmake ..
 126       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
 127       $CMAKE_COMPILER_SCRIPT
 128       $CMAKE_EXTRA_OPTIONS
 129       $CMAKE_SIMD_OPTIONS
 130       $CMAKE_MPI_OPTIONS
 131       $CMAKE_PRECISION_OPTIONS
 132       $CMAKE_BUILD_TYPE_OPTIONS
 133       $CMAKE_GPU_OPTIONS
 134       $CMAKE_GMXAPI_OPTIONS
 135       -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
 136       2>&1 | tee cmakeLog.log
 137     - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
 138     - if [ -s cmakeErrors.log  ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
 139     - cd ..
 140   artifacts:
 141     when: always
 142     paths:
 143       - $BUILD_DIR
 144
 145 .configure-build-release-template:
 146   # Dockerfiles are from dockerhub, user eriklindahl
 147   # image in admin/dockerimages/ci-docs-py27
 148   stage: release-configure
 149   image: biophysics/gcc-gromacs
 150   variables:
 151     KUBERNETES_CPU_LIMIT: 1
 152     KUBERNETES_CPU_REQUEST: 1
 153     KUBERNETES_MEMORY_LIMIT: 2Gi
 154     CMAKE_COMPILER_SCRIPT: ""
 155     CMAKE_EXTRA_OPTIONS: ""
 156     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
 157     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
 158     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
 159     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
 160     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
 161     CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
 162     RELEASE_BUILD_DIR: release-builds
 163     RELEASE_SOURCE: release-source-from-tarball
 164     RELEASE_REGRESSIONTESTS: release-regressiontests-from-tarball
 165
 166   only:
 167     refs:
 168       - web
 169       - schedules
 170       - triggers
 171     variables:
 172       - $GROMACS_RELEASE
 173   script:
 174     - VERSION=`cat version.json |
 175       python3 -c "import json,sys; print(json.load(sys.stdin)['version'])"`
 176     - if [[ $GROMACS_RELEASE != "true" ]] ; then
 177       VERSION=$VERSION-dev ;
 178       fi
 179     - SOURCENAME=gromacs-$VERSION
 180     - SOURCETARBALL=$SOURCENAME.tar.gz
 181     - REGTESTNAME=regressiontests-$VERSION
 182     - REGTESTTARBALL=$REGTESTNAME.tar.gz
 183     - echo "$SOURCETARBALL"
 184     - echo "$REGTESTTARBALL"
 185     - RELEASE_TARBALLS=release-tarballs
 186     - rm -rf $RELEASE_TARBALLS $RELEASE_SOURCE $RELEASE_REGRESSIONTESTS && mkdir $RELEASE_TARBALLS
 187     - mv $SOURCETARBALL $RELEASE_TARBALLS
 188     - mv $REGTESTTARBALL $RELEASE_TARBALLS
 189     - cd $RELEASE_TARBALLS
 190     # We rename the source and regressiontest directories
 191     # to have names for them that don't change for different versions.
 192     - tar -xf $SOURCETARBALL
 193     - mv $SOURCENAME ../$RELEASE_SOURCE
 194     - tar -xf $REGTESTTARBALL
 195     - mv $REGTESTNAME ../$RELEASE_REGRESSIONTESTS
 196     - rm $SOURCETARBALL $REGTESTTARBALL
 197     - cd ..
 198     - echo $CMAKE_COMPILER_SCRIPT
 199     - echo $CMAKE_EXTRA_OPTIONS
 200     - echo $CMAKE_SIMD_OPTIONS
 201     - echo $CMAKE_GPU_OPTIONS
 202     - echo $CMAKE_MPI_OPTIONS
 203     - echo $CMAKE_PRECISION_OPTIONS
 204     - echo $CMAKE_BUILD_TYPE_OPTIONS
 205     - echo $CMAKE_GMXAPI_OPTIONS
 206     - if [[ -d $RELEASE_BUILD_DIR ]] ; then
 207       echo "Cleaning up build directory" ;
 208       rm -rf $RELEASE_BUILD_DIR && mkdir $RELEASE_BUILD_DIR ;
 209       else
 210       echo "Preparing new build directory" ;
 211       mkdir $RELEASE_BUILD_DIR ;
 212       fi
 213     - cd $RELEASE_BUILD_DIR
 214     - cmake ../$RELEASE_SOURCE/
 215       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
 216       $CMAKE_COMPILER_SCRIPT
 217       $CMAKE_EXTRA_OPTIONS
 218       $CMAKE_SIMD_OPTIONS
 219       $CMAKE_MPI_OPTIONS
 220       $CMAKE_PRECISION_OPTIONS
 221       $CMAKE_BUILD_TYPE_OPTIONS
 222       $CMAKE_GPU_OPTIONS
 223       $CMAKE_GMXAPI_OPTIONS
 224       "-DREGRESSIONTEST_PATH=../$RELEASE_REGRESSIONTESTS"
 225       -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
 226       2>&1 | tee cmakeLog.log
 227     - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
 228     - if [ -s cmakeErrors.log  ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
 229     - cd ..
 230   artifacts:
 231     when: always
 232     paths:
 233       - $RELEASE_BUILD_DIR
 234       - $RELEASE_REGRESSIONTESTS
 235       - $RELEASE_SOURCE
 236
 237 .configure-extends-template:
 238   extends:
 239     - .configure-build-template
 240     - .no-cache-template
 241     - .variables:default
 242
 243 .configure-release-extends-template:
 244   extends:
 245     - .configure-build-release-template
 246     - .no-cache-template
 247     - .variables:default
 248
 249 # Templates for configuration stage
 250 .configure-gcc:
 251   extends:
 252     - .configure-extends-template
 253     - .gcc-before-script-template
 254     - .build-gcc-template
 255
 256 .configure-gcc-release:
 257   extends:
 258     - .configure-release-extends-template
 259     - .gcc-before-script-template
 260     - .build-gcc-template
 261
 262 .configure-gcc-cuda:
 263   extends:
 264     - .configure-gcc
 265     - .cuda-template
 266
 267 configure-gcc-7:
 268   extends:
 269     - .configure-gcc
 270     - .gcc7-template
 271   needs:
 272     - job: simple-build
 273       artifacts: false
 274   variables:
 275     COMPILER_MAJOR_VERSION: 7
 276   except:
 277     variables:
 278       - $GROMACS_RELEASE
 279
 280 configure-gcc-7-release:
 281   extends:
 282     - .configure-gcc-release
 283     - .no-cache-template
 284     - .gcc7-template
 285   variables:
 286     COMPILER_MAJOR_VERSION: 7
 287     RELEASE_BUILD_DIR: release-builds-gcc
 288   only:
 289     refs:
 290       - web
 291       - schedules
 292       - triggers
 293     variables:
 294       - $GROMACS_RELEASE
 295   dependencies:
 296     - package-archive-release
 297     - package-regressiontests-release
 298     - prepare-release-version
 299
 300 configure-gcc-7-simd-sse41:
 301   extends:
 302     - .configure-gcc
 303     - .gcc7-template
 304   needs:
 305     - job: simple-build
 306       artifacts: false
 307   variables:
 308     COMPILER_MAJOR_VERSION: 7
 309     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
 310   except:
 311     variables:
 312       - $GROMACS_RELEASE
 313
 314 configure-gcc-7-double:
 315   extends:
 316     - .configure-gcc
 317     - .gcc7-template
 318   needs:
 319     - job: simple-build
 320       artifacts: false
 321   variables:
 322     COMPILER_MAJOR_VERSION: 7
 323     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
 324   except:
 325     variables:
 326       - $GROMACS_RELEASE
 327
 328 configure-gcc-7-double-release:
 329   extends:
 330     - .configure-gcc-release
 331     - .no-cache-template
 332     - .gcc7-template
 333   variables:
 334     COMPILER_MAJOR_VERSION: 7
 335     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
 336     RELEASE_BUILD_DIR: release-builds-gcc
 337   only:
 338     refs:
 339       - web
 340       - schedules
 341       - triggers
 342     variables:
 343       - $GROMACS_RELEASE
 344   dependencies:
 345     - package-archive-release
 346     - package-regressiontests-release
 347     - prepare-release-version
 348
 349 configure-gcc-7-gmxapi:
 350   extends:
 351     - .configure-gcc
 352     - .configure-gmxapi-template
 353     - .gcc7-template
 354   needs:
 355     - job: simple-build
 356       artifacts: false
 357   variables:
 358     COMPILER_MAJOR_VERSION: 7
 359   except:
 360     variables:
 361       - $GROMACS_RELEASE
 362
 363 configure-gcc-7-gmxapi-release:
 364   extends:
 365     - .configure-gcc-release
 366     - .configure-gmxapi-template
 367     - .no-cache-template
 368     - .gcc7-template
 369   variables:
 370     COMPILER_MAJOR_VERSION: 7
 371     RELEASE_BUILD_DIR: release-builds-gcc
 372   only:
 373     refs:
 374       - web
 375       - schedules
 376       - triggers
 377     variables:
 378       - $GROMACS_RELEASE
 379   dependencies:
 380     - package-archive-release
 381     - package-regressiontests-release
 382     - prepare-release-version
 383
 384 configure-gcc-8:
 385   extends:
 386     - .configure-gcc
 387     - .gcc8-template
 388   needs:
 389     - job: simple-build
 390       artifacts: false
 391   variables:
 392     COMPILER_MAJOR_VERSION: 8
 393   except:
 394     variables:
 395       - $GROMACS_RELEASE
 396
 397 configure-gcc-8-release:
 398   extends:
 399     - .configure-gcc-release
 400     - .no-cache-template
 401     - .gcc8-template
 402   variables:
 403     COMPILER_MAJOR_VERSION: 8
 404     RELEASE_BUILD_DIR: release-builds-gcc
 405   only:
 406     refs:
 407       - web
 408       - schedules
 409       - triggers
 410     variables:
 411       - $GROMACS_RELEASE
 412   dependencies:
 413     - package-archive-release
 414     - package-regressiontests-release
 415     - prepare-release-version
 416
 417 configure-gcc-8-cuda-10.2:
 418   extends:
 419     - .configure-gcc-cuda
 420     - .gcc-8-cuda-10.2-template
 421   needs:
 422     - job: simple-build
 423       artifacts: false
 424   except:
 425     variables:
 426       - $GROMACS_RELEASE
 427
 428 .configure-clang:
 429   extends:
 430     - .configure-extends-template
 431     - .clang-before-script-template
 432     - .build-clang-template
 433
 434 .configure-clang-release:
 435   extends:
 436     - .configure-release-extends-template
 437     - .clang-before-script-template
 438     - .build-clang-template
 439
 440 # For version of clang before 7, we need to always provide the full version
 441 # Use something like this instead in the download script:
 442 # APT_COMPILER_VERSION=$(($COMPILER_MAJOR_VERSION < 7 ? "${COMPILER_MAJOR_VERSION}.0" : $COMPILER_MAJOR_VERSION))
 443 configure-clang-6:
 444   extends:
 445     - .configure-clang
 446     - .clang6-template
 447   needs:
 448     - job: simple-build
 449       artifacts: false
 450   variables:
 451     COMPILER_MAJOR_VERSION: "6.0"
 452     CMAKE_MPI_OPTIONS: -DGMX_OPENMP=OFF
 453   except:
 454     variables:
 455       - $GROMACS_RELEASE
 456
 457 configure-clang-7:
 458   extends:
 459     - .configure-clang
 460     - .clang7-template
 461   needs:
 462     - job: simple-build
 463       artifacts: false
 464   variables:
 465     COMPILER_MAJOR_VERSION: 7
 466   except:
 467     variables:
 468       - $GROMACS_RELEASE
 469
 470 configure-clang-7-release:
 471   extends:
 472     - .configure-clang-release
 473     - .no-cache-template
 474     - .clang7-template
 475   variables:
 476     COMPILER_MAJOR_VERSION: 7
 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 configure-clang-7-gmxapi:
 491   extends:
 492     - .configure-clang
 493     - .configure-gmxapi-template
 494     - .clang7-template
 495   needs:
 496     - job: simple-build
 497       artifacts: false
 498   variables:
 499     COMPILER_MAJOR_VERSION: 7
 500   except:
 501     variables:
 502       - $GROMACS_RELEASE
 503
 504 configure-clang-7-gmxapi-release:
 505   extends:
 506     - .configure-clang-release
 507     - .configure-gmxapi-template
 508     - .no-cache-template
 509     - .clang7-template
 510   variables:
 511     COMPILER_MAJOR_VERSION: 7
 512     RELEASE_BUILD_DIR: release-builds-clang
 513   only:
 514     refs:
 515       - web
 516       - schedules
 517       - triggers
 518     variables:
 519       - $GROMACS_RELEASE
 520   dependencies:
 521     - package-archive-release
 522     - package-regressiontests-release
 523     - prepare-release-version
 524
 525 configure-clang-8:
 526   extends:
 527     - .configure-clang
 528     - .clang8-template
 529   needs:
 530     - job: simple-build
 531       artifacts: false
 532   variables:
 533     COMPILER_MAJOR_VERSION: 8
 534   except:
 535     variables:
 536       - $GROMACS_RELEASE
 537
 538 configure-clang-8-release:
 539   extends:
 540     - .configure-clang-release
 541     - .no-cache-template
 542     - .clang8-template
 543   variables:
 544     COMPILER_MAJOR_VERSION: 8
 545     RELEASE_BUILD_DIR: release-builds-clang
 546   only:
 547     refs:
 548       - web
 549       - schedules
 550       - triggers
 551     variables:
 552       - $GROMACS_RELEASE
 553   dependencies:
 554     - package-archive-release
 555     - package-regressiontests-release
 556     - prepare-release-version
 557
 558 # Jobs running during build stage
 559
 560 .binary-build-template:
 561   # Dockerfiles are from dockerhub, user eriklindahl
 562   # image in admin/dockerimages/ci-docs-py27
 563   stage: build
 564   image: biophysics/gcc-gromacs
 565   variables:
 566
 567   script:
 568     - cd $BUILD_DIR
 569     - cmake --build . -- -j8 2>&1 | tee buildLogFile.log
 570     - cmake --build . --target tests -- -j8 2>&1 | tee testBuildLogFile.log
 571     - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
 572       | grep -v "CMake" | tee buildErrors.log || true
 573     - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
 574     - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
 575     - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
 576     - cd ..
 577   artifacts:
 578     when: always
 579     paths:
 580       - $BUILD_DIR
 581       - $INSTALL_DIR/
 582
 583 .build-extends-template:
 584   extends:
 585     - .binary-build-template
 586     - .build-cache-template
 587     - .variables:default
 588
 589 .build-gcc:
 590   extends:
 591     - .build-extends-template
 592     - .gcc-before-script-template
 593     - .build-gcc-template
 594
 595 .build-gcc-cuda:
 596   extends:
 597     - .build-gcc
 598     - .cuda-template
 599
 600 build-gcc-7:
 601   extends:
 602     - .build-gcc
 603     - .gcc7-template
 604   needs:
 605     - job: simple-build
 606       artifacts: false
 607     - job: configure-gcc-7
 608       artifacts: true
 609   except:
 610     variables:
 611       - $GROMACS_RELEASE
 612
 613 build-gcc-7-release:
 614   extends:
 615     - .build-gcc
 616     - .gcc7-template
 617   stage: release-build
 618   variables:
 619     BUILD_DIR: release-builds-gcc
 620   needs:
 621     - job: configure-gcc-7-release
 622       artifacts: true
 623   only:
 624     refs:
 625       - web
 626       - schedules
 627       - triggers
 628     variables:
 629       - $GROMACS_RELEASE
 630
 631 build-gcc-7-simd-sse41:
 632   extends:
 633     - .build-gcc
 634     - .gcc7-template
 635   needs:
 636     - job: simple-build
 637       artifacts: false
 638     - job: configure-gcc-7-simd-sse41
 639       artifacts: true
 640   except:
 641     variables:
 642       - $GROMACS_RELEASE
 643
 644 build-gcc-7-double:
 645   extends:
 646     - .build-gcc
 647     - .gcc7-template
 648   needs:
 649     - job: simple-build
 650       artifacts: false
 651     - job: configure-gcc-7-double
 652       artifacts: true
 653   except:
 654     variables:
 655       - $GROMACS_RELEASE
 656
 657 build-gcc-7-gmxapi:
 658   extends:
 659     - .build-gcc
 660     - .gmxapi-extra-installs
 661     - .gcc7-template
 662   needs:
 663     - job: simple-build
 664       artifacts: false
 665     - job: configure-gcc-7-gmxapi
 666       artifacts: true
 667   except:
 668     variables:
 669       - $GROMACS_RELEASE
 670
 671 build-gcc-7-double-release:
 672   extends:
 673     - .build-gcc
 674     - .gcc7-template
 675   stage: release-build
 676   variables:
 677     BUILD_DIR: release-builds-gcc
 678   needs:
 679     - job: configure-gcc-7-double-release
 680       artifacts: true
 681   only:
 682     refs:
 683       - web
 684       - schedules
 685       - triggers
 686     variables:
 687       - $GROMACS_RELEASE
 688
 689 build-gcc-7-gmxapi-release:
 690   extends:
 691     - .build-gcc
 692     - .gmxapi-extra-installs
 693     - .gcc7-template
 694   stage: release-build
 695   variables:
 696     BUILD_DIR: release-builds-gcc
 697   needs:
 698     - job: configure-gcc-7-gmxapi-release
 699       artifacts: true
 700   only:
 701     refs:
 702       - web
 703       - schedules
 704       - triggers
 705     variables:
 706       - $GROMACS_RELEASE
 707
 708 build-gcc-8:
 709   extends:
 710     - .build-gcc
 711     - .gcc8-template
 712   needs:
 713     - job: simple-build
 714       artifacts: false
 715     - job: configure-gcc-8
 716       artifacts: true
 717   except:
 718     variables:
 719       - $GROMACS_RELEASE
 720
 721 build-gcc-8-release:
 722   extends:
 723     - .build-gcc
 724     - .gcc8-template
 725   stage: release-build
 726   variables:
 727     BUILD_DIR: release-builds-gcc
 728   needs:
 729     - job: configure-gcc-8-release
 730       artifacts: true
 731   only:
 732     refs:
 733       - web
 734       - schedules
 735       - triggers
 736     variables:
 737       - $GROMACS_RELEASE
 738
 739 build-gcc-8-cuda-10.2:
 740   extends:
 741     - .build-gcc-cuda
 742     - .gcc-8-cuda-10.2-template
 743   needs:
 744     - job: simple-build
 745       artifacts: false
 746     - job: configure-gcc-8-cuda-10.2
 747       artifacts: true
 748   except:
 749     variables:
 750       - $GROMACS_RELEASE
 751
 752 .build-clang:
 753   extends:
 754     - .build-extends-template
 755     - .clang-before-script-template
 756     - .build-clang-template
 757
 758 build-clang-6:
 759   extends:
 760     - .build-clang
 761     - .clang6-template
 762   needs:
 763     - job: simple-build
 764       artifacts: false
 765     - job: configure-clang-6
 766       artifacts: true
 767   except:
 768     variables:
 769       - $GROMACS_RELEASE
 770
 771 build-clang-7:
 772   extends:
 773     - .build-clang
 774     - .clang7-template
 775   needs:
 776     - job: simple-build
 777       artifacts: false
 778     - job: configure-clang-7
 779       artifacts: true
 780   except:
 781     variables:
 782       - $GROMACS_RELEASE
 783
 784 build-clang-7-release:
 785   extends:
 786     - .build-clang
 787     - .clang7-template
 788   stage: release-build
 789   variables:
 790     BUILD_DIR: release-builds-clang
 791   needs:
 792     - job: configure-clang-7-release
 793       artifacts: true
 794   only:
 795     refs:
 796       - web
 797       - schedules
 798       - triggers
 799     variables:
 800       - $GROMACS_RELEASE
 801
 802 build-clang-7-gmxapi:
 803   extends:
 804     - .build-clang
 805     - .gmxapi-extra-installs
 806     - .clang7-template
 807   needs:
 808     - job: simple-build
 809       artifacts: false
 810     - job: configure-clang-7-gmxapi
 811       artifacts: true
 812   except:
 813     variables:
 814       - $GROMACS_RELEASE
 815
 816 build-clang-7-gmxapi-release:
 817   extends:
 818     - .build-clang
 819     - .gmxapi-extra-installs
 820     - .clang7-template
 821   stage: release-build
 822   variables:
 823     BUILD_DIR: release-builds-clang
 824   needs:
 825     - job: configure-clang-7-gmxapi-release
 826       artifacts: true
 827   only:
 828     refs:
 829       - web
 830       - schedules
 831       - triggers
 832     variables:
 833       - $GROMACS_RELEASE
 834
 835 build-clang-8:
 836   extends:
 837     - .build-clang
 838     - .clang8-template
 839   needs:
 840     - job: simple-build
 841       artifacts: false
 842     - job: configure-clang-8
 843       artifacts: true
 844   except:
 845     variables:
 846       - $GROMACS_RELEASE
 847
 848 build-clang-8-release:
 849   extends:
 850     - .build-clang
 851     - .clang8-template
 852   stage: release-build
 853   variables:
 854     BUILD_DIR: release-builds-clang
 855   needs:
 856     - job: configure-clang-8-release
 857       artifacts: true
 858   only:
 859     refs:
 860       - web
 861       - schedules
 862       - triggers
 863     variables:
 864       - $GROMACS_RELEASE
 865
 866
 867 # Jobs running during test stage
 868 .test-base-template:
 869   variables:
 870     BUILD_DIR: build
 871   # Docker image uploaded to dockerhub by user eriklindahl
 872   # TODO: Get DockerFile for admin/dockerfiles
 873   image: biophysics/gcc-gromacs
 874   stage: test
 875   retry:
 876     max: 2
 877
 878 .test-script-template:
 879   script:
 880     - cd $BUILD_DIR
 881     - ctest -D ExperimentalTest --output-on-failure | tee ctestLog.log || true
 882     - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
 883       ctestLog.log | tee ctestErrors.log
 884     - xsltproc scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml
 885     - if [ -s ctestErrors.log ] ; then
 886       echo "Error during running ctest";
 887       exit 1;
 888       fi
 889     - cd ..
 890   artifacts:
 891     reports:
 892       junit: $BUILD_DIR/JUnitTestResults.xml
 893     paths:
 894       - $BUILD_DIR/Testing
 895       - $BUILD_DIR/tests
 896     when: always
 897     expire_in: 1 week
 898
 899 .test-extends-template:
 900   extends:
 901     - .test-base-template
 902     - .pull-cache-template
 903     - .test-script-template
 904     - .variables:default
 905
 906 .test-gcc-template:
 907   variables:
 908     COMPILER_MAJOR_VERSION: 7
 909     BUILD_DIR: build-gcc
 910
 911 .test-gcc:
 912   extends:
 913     - .test-extends-template
 914     - .gcc-before-script-template
 915     - .test-gcc-template
 916
 917 .test-gcc-cuda:
 918   extends:
 919     - .test-gcc
 920     - .cuda-template
 921
 922 test-gcc-7:
 923   extends:
 924     - .test-gcc
 925     - .gcc7-template
 926   needs:
 927     - job: simple-build
 928       artifacts: false
 929     - job: build-gcc-7
 930   except:
 931     variables:
 932       - $GROMACS_RELEASE
 933
 934 test-gcc-7-release:
 935   extends:
 936     - .test-gcc
 937     - .gcc7-template
 938   stage: release-tests
 939   variables:
 940     BUILD_DIR: release-builds-gcc
 941   needs:
 942     - job: configure-gcc-7-release
 943       artifacts: true
 944     - job: build-gcc-7-release
 945       artifacts: true
 946   only:
 947     refs:
 948       - triggers
 949       - web
 950       - schedules
 951     variables:
 952       - $GROMACS_RELEASE
 953
 954 test-gcc-7-simd-sse41:
 955   extends:
 956     - .test-gcc
 957     - .gcc7-template
 958   needs:
 959     - job: simple-build
 960       artifacts: false
 961     - job: build-gcc-7-simd-sse41
 962   except:
 963     variables:
 964       - $GROMACS_RELEASE
 965
 966 test-gcc-7-double:
 967   extends:
 968     - .test-gcc
 969     - .gcc7-template
 970   needs:
 971     - job: simple-build
 972       artifacts: false
 973     - job: build-gcc-7-double
 974   except:
 975     variables:
 976       - $GROMACS_RELEASE
 977
 978 test-gcc-7-double-release:
 979   extends:
 980     - .test-gcc
 981     - .gcc7-template
 982   stage: release-tests
 983   variables:
 984     BUILD_DIR: release-builds-gcc
 985   needs:
 986     - job: configure-gcc-7-double-release
 987       artifacts: true
 988     - job: build-gcc-7-double-release
 989       artifacts: true
 990   only:
 991     refs:
 992       - triggers
 993       - web
 994       - schedules
 995     variables:
 996       - $GROMACS_RELEASE
 997
 998 test-gcc-7-gmxapi:
 999   extends:
1000     - .test-gcc
1001     - .gmxapi-extra-installs
1002     - .gcc7-template
1003   needs:
1004     - job: simple-build
1005       artifacts: false
1006     - job: build-gcc-7-gmxapi
1007   except:
1008     variables:
1009       - $GROMACS_RELEASE
1010
1011 test-gcc-7-gmxapi-release:
1012   extends:
1013     - .test-gcc
1014     - .gmxapi-extra-installs
1015     - .gcc7-template
1016   stage: release-tests
1017   variables:
1018     BUILD_DIR: release-builds-gcc
1019   needs:
1020     - job: configure-gcc-7-gmxapi-release
1021       artifacts: true
1022     - job: build-gcc-7-gmxapi-release
1023       artifacts: true
1024   only:
1025     refs:
1026       - triggers
1027       - web
1028       - schedules
1029     variables:
1030       - $GROMACS_RELEASE
1031
1032 test-gcc-8:
1033   extends:
1034     - .test-gcc
1035     - .gcc8-template
1036   needs:
1037     - job: simple-build
1038       artifacts: false
1039     - job: build-gcc-8
1040   except:
1041     variables:
1042       - $GROMACS_RELEASE
1043
1044 test-gcc-8-release:
1045   extends:
1046     - .test-gcc
1047     - .gcc8-template
1048   stage: release-tests
1049   variables:
1050     BUILD_DIR: release-builds-gcc
1051   needs:
1052     - job: configure-gcc-8-release
1053       artifacts: true
1054     - job: build-gcc-8-release
1055       artifacts: true
1056   only:
1057     refs:
1058       - triggers
1059       - web
1060       - schedules
1061     variables:
1062       - $GROMACS_RELEASE
1063
1064 test-gcc-8-cuda-10.2:
1065   variables:
1066     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
1067     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
1068   extends:
1069     - .test-gcc-cuda
1070     - .gcc-8-cuda-10.2-template
1071   needs:
1072     - job: simple-build
1073       artifacts: false
1074     - job: build-gcc-8-cuda-10.2
1075   except:
1076     variables:
1077       - $GROMACS_RELEASE
1078
1079 .test-clang-template:
1080   variables:
1081     COMPILER_MAJOR_VERSION: 7
1082     BUILD_DIR: build-clang
1083
1084 .test-clang:
1085   extends:
1086     - .test-extends-template
1087     - .clang-before-script-template
1088     - .test-clang-template
1089
1090 test-clang-6:
1091   extends:
1092     - .test-clang
1093     - .clang6-template
1094   needs:
1095     - job: simple-build
1096       artifacts: false
1097     - job: build-clang-6
1098   except:
1099     variables:
1100       - $GROMACS_RELEASE
1101
1102 test-clang-7:
1103   extends:
1104     - .test-clang
1105     - .clang7-template
1106   needs:
1107     - job: simple-build
1108       artifacts: false
1109     - job: build-clang-7
1110   except:
1111     variables:
1112       - $GROMACS_RELEASE
1113
1114 test-clang-7-release:
1115   extends:
1116     - .test-clang
1117     - .clang7-template
1118   stage: release-tests
1119   variables:
1120     BUILD_DIR: release-builds-clang
1121   needs:
1122     - job: configure-clang-7-release
1123       artifacts: true
1124     - job: build-clang-7-release
1125       artifacts: true
1126   only:
1127     refs:
1128       - triggers
1129       - web
1130       - schedules
1131     variables:
1132       - $GROMACS_RELEASE
1133
1134 test-clang-7-gmxapi:
1135   extends:
1136     - .test-clang
1137     - .gmxapi-extra-installs
1138     - .clang7-template
1139   needs:
1140     - job: simple-build
1141       artifacts: false
1142     - job: build-clang-7-gmxapi
1143   except:
1144     variables:
1145       - $GROMACS_RELEASE
1146
1147 test-clang-7-gmxapi-release:
1148   extends:
1149     - .test-clang
1150     - .gmxapi-extra-installs
1151     - .clang7-template
1152   stage: release-tests
1153   variables:
1154     BUILD_DIR: release-builds-clang
1155   needs:
1156     - job: configure-clang-7-gmxapi-release
1157       artifacts: true
1158     - job: build-clang-7-gmxapi-release
1159       artifacts: true
1160   only:
1161     refs:
1162       - triggers
1163       - web
1164       - schedules
1165     variables:
1166       - $GROMACS_RELEASE
1167
1168 test-clang-8:
1169   extends:
1170     - .test-clang
1171     - .clang8-template
1172   needs:
1173     - job: simple-build
1174       artifacts: false
1175     - job: build-clang-8
1176   except:
1177     variables:
1178       - $GROMACS_RELEASE
1179
1180 test-clang-8-release:
1181   extends:
1182     - .test-clang
1183     - .clang8-template
1184   stage: release-tests
1185   variables:
1186     BUILD_DIR: release-builds-clang
1187   needs:
1188     - job: configure-clang-8-release
1189       artifacts: true
1190     - job: build-clang-8-release
1191       artifacts: true
1192   only:
1193     refs:
1194       - triggers
1195       - web
1196       - schedules
1197     variables:
1198       - $GROMACS_RELEASE