.gitlab-ci.yml

   1 include:
   2   - local: '/admin/ci-templates/.include-template.yml'
   3
   4 .configure-extends-template:
   5   extends:
   6     - .configure-build-template
   7     - .no-cache-template
   8     - .variables-template
   9     - .tags-template
  10
  11 .configure-release-extends-template:
  12   extends:
  13     - .configure-build-release-template
  14     - .no-cache-template
  15     - .variables-template
  16     - .tags-template
  17
  18 .build-extends-template:
  19   extends:
  20     - .binary-build-template
  21     - .build-cache-template
  22     - .variables-template
  23     - .tags-template
  24
  25 .test-extends-template:
  26   extends:
  27     - .test-base-template
  28     - .pull-cache-template
  29     - .test-script-template
  30     - .variables-template
  31     - .tags-template
  32
  33 .regressiontests-extends-template:
  34   extends:
  35     - .no-cache-template
  36     - .variables-template
  37     - .tags-template
  38
  39 # CI is organized into stages so that if early stages fail
  40 # the later ones are not run.
  41 stages:
  42   # Initial test build for checking simple compilation and getting regressiontest repo
  43   - pre-build
  44   # Configuration for building and testing
  45   - configure-build
  46   # Build GROMACS in multiple configurations
  47   - build
  48   # Test each configuration, perhaps in multiple ways
  49   - test
  50   # Generate documentation files
  51   - documentation
  52   # Check documentation from source code for errors
  53   - source-check
  54   # Linting, docs, static analysis, coverage, code analysis...
  55   - post-test
  56   # Nightly work to configure builds
  57   - nightly-configure
  58   # Nightly build stage
  59   - nightly-build
  60   # Nightly deploy stage
  61   - nightly-deploy
  62   # Release work for packaging code
  63   - release-package
  64   # Release checksum verification
  65   - release-verify
  66   # Configure code for release builds
  67   - release-configure
  68   # Release work for packaging code
  69   - release-build
  70   # Tests for release code
  71   - release-tests
  72   # Prepare for deploying artifacts
  73   - release-prepare-deploy
  74   # Deploy stage for release builds
  75   - release-deploy
  76
  77 # Templates for configuration stage
  78 .configure-gcc:
  79   extends:
  80     - .configure-extends-template
  81     - .gcc-before-script-template
  82     - .build-gcc-template
  83
  84 .configure-gcc-release:
  85   extends:
  86     - .configure-release-extends-template
  87     - .gcc-before-script-template
  88     - .build-gcc-template
  89
  90 .configure-gcc-cuda:
  91     extends:
  92       - .configure-gcc
  93       - .cuda-template
  94
  95 .configure-clang:
  96   extends:
  97     - .configure-extends-template
  98     - .clang-before-script-template
  99     - .build-clang-template
 100
 101 .configure-clang-release:
 102   extends:
 103     - .configure-release-extends-template
 104     - .clang-before-script-template
 105     - .build-clang-template
 106
 107 .configure-docs:
 108   extends:
 109     - .configure-extends-template
 110     - .configure-docs-template
 111     - .documentation-before-script-template
 112
 113 .configure-docs-release:
 114   extends:
 115     - .configure-extends-template
 116     - .configure-docs-release-template
 117     - .documentation-before-script-template
 118
 119 # Templates for build stage
 120 .build-archive:
 121   extends:
 122     - .build-extends-template
 123     - .documentation-before-script-template
 124     - .build-docs-binary-template
 125     - .archive-build-template
 126
 127 .build-gcc:
 128   extends:
 129     - .build-extends-template
 130     - .gcc-before-script-template
 131     - .build-gcc-template
 132
 133 .build-clang:
 134   extends:
 135     - .build-extends-template
 136     - .clang-before-script-template
 137     - .build-clang-template
 138
 139 .build-docs-binary:
 140   extends:
 141     - .build-extends-template
 142     - .build-cache-template
 143     - .build-docs-binary-template
 144     - .documentation-before-script-template
 145
 146 .build-docs-webpage:
 147   extends:
 148     - .binary-build-template
 149     - .variables-template
 150     - .tags-template
 151     - .no-cache-template
 152     - .build-docs-webpage-template
 153     - .documentation-before-script-template
 154
 155 .build-gcc-cuda:
 156     extends:
 157       - .build-gcc
 158       - .cuda-template
 159
 160 # Templates for test stage
 161 .test-gcc:
 162   extends:
 163     - .test-extends-template
 164     - .gcc-before-script-template
 165     - .test-gcc-template
 166
 167 .test-gcc-cuda:
 168     extends:
 169       - .test-gcc
 170       - .cuda-template
 171
 172 .test-clang:
 173   extends:
 174     - .test-extends-template
 175     - .clang-before-script-template
 176     - .test-clang-template
 177
 178 # Special job to package regressiontest files and have them available for testing
 179 # Runs during pre-build
 180 prepare-regressiontests:
 181   extends:
 182     - .regressiontests-extends-template
 183     - .regressiontests-template
 184
 185 prepare-release-version:
 186   extends:
 187     - .regressiontests-extends-template
 188     - .release-version-template
 189
 190 # Initial build that always needs to pass before follow-up stages run
 191 simple-build:
 192   extends:
 193     - .simple-build-template
 194     - .build-cache-template
 195     - .variables-template
 196     - .tags-template
 197     - .gcc-before-script-template
 198     - .build-gcc-template
 199     - .gcc7-template
 200   variables:
 201     COMPILER_MAJOR_VERSION: 7
 202     BUILD_DIR: simple-build
 203   except:
 204     variables:
 205       - $GROMACS_RELEASE
 206
 207 # Jobs running in first pre-build stage
 208 configure-gcc-7:
 209   extends:
 210     - .configure-gcc
 211     - .gcc7-template
 212   needs:
 213     - job: simple-build
 214       artifacts: false
 215   variables:
 216     COMPILER_MAJOR_VERSION: 7
 217   except:
 218     variables:
 219       - $GROMACS_RELEASE
 220
 221 configure-gcc-7-gmxapi:
 222   extends:
 223     - .configure-gcc
 224     - .configure-gmxapi-template
 225     - .gcc7-template
 226   needs:
 227     - job: simple-build
 228       artifacts: false
 229   variables:
 230     COMPILER_MAJOR_VERSION: 7
 231   except:
 232     variables:
 233       - $GROMACS_RELEASE
 234
 235 configure-gcc-7-double:
 236   extends:
 237     - .configure-gcc
 238     - .gcc7-template
 239   needs:
 240     - job: simple-build
 241       artifacts: false
 242   variables:
 243     COMPILER_MAJOR_VERSION: 7
 244     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
 245   except:
 246     variables:
 247       - $GROMACS_RELEASE
 248
 249 configure-gcc-8:
 250   extends:
 251     - .configure-gcc
 252     - .gcc8-template
 253   needs:
 254     - job: simple-build
 255       artifacts: false
 256   variables:
 257     COMPILER_MAJOR_VERSION: 8
 258   except:
 259     variables:
 260       - $GROMACS_RELEASE
 261
 262 configure-gcc-8-cuda-10.2:
 263     extends:
 264       - .configure-gcc-cuda
 265       - .gcc-8-cuda-10.2-template
 266     needs:
 267       - job: simple-build
 268         artifacts: false
 269     except:
 270       variables:
 271         - $GROMACS_RELEASE
 272
 273 configure-gcc-7-simd-sse41:
 274   extends:
 275     - .configure-gcc
 276     - .gcc7-template
 277   needs:
 278     - job: simple-build
 279       artifacts: false
 280   variables:
 281     COMPILER_MAJOR_VERSION: 7
 282     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
 283   except:
 284     variables:
 285       - $GROMACS_RELEASE
 286
 287 configure-clang-7:
 288   extends:
 289     - .configure-clang
 290     - .clang7-template
 291   needs:
 292     - job: simple-build
 293       artifacts: false
 294   variables:
 295     COMPILER_MAJOR_VERSION: 7
 296   except:
 297     variables:
 298       - $GROMACS_RELEASE
 299
 300 configure-clang-7-gmxapi:
 301   extends:
 302     - .configure-clang
 303     - .configure-gmxapi-template
 304     - .clang7-template
 305   needs:
 306     - job: simple-build
 307       artifacts: false
 308   variables:
 309     COMPILER_MAJOR_VERSION: 7
 310   except:
 311     variables:
 312       - $GROMACS_RELEASE
 313
 314 configure-clang-8:
 315   extends:
 316     - .configure-clang
 317     - .clang8-template
 318   needs:
 319     - job: simple-build
 320       artifacts: false
 321   variables:
 322     COMPILER_MAJOR_VERSION: 8
 323   except:
 324     variables:
 325       - $GROMACS_RELEASE
 326
 327 # For version of clang before 7, we need to always provide the full version
 328 # Use something like this instead in the download script:
 329 # APT_COMPILER_VERSION=$(($COMPILER_MAJOR_VERSION < 7 ? "${COMPILER_MAJOR_VERSION}.0" : $COMPILER_MAJOR_VERSION))
 330 configure-clang-6:
 331   extends:
 332     - .configure-clang
 333     - .clang6-template
 334   needs:
 335     - job: simple-build
 336       artifacts: false
 337   variables:
 338     COMPILER_MAJOR_VERSION: "6.0"
 339     CMAKE_MPI_OPTIONS: -DGMX_OPENMP=OFF
 340   except:
 341     variables:
 342       - $GROMACS_RELEASE
 343
 344 configure-clang-tidy:
 345   extends:
 346     - .configure-clang
 347     - .clang7-template
 348   needs:
 349     - job: simple-build
 350       artifacts: false
 351   variables:
 352     BUILD_DIR: build-clang-tidy
 353     COMPILER_MAJOR_VERSION: 7
 354     CMAKE_EXTRA_OPTIONS: -DCLANG_TIDY=clang-tidy-$COMPILER_MAJOR_VERSION -DGMX_CLANG_TIDY=ON -DGMX_COMPILER_WARNINGS=ON
 355     EXTRA_INSTALLS: clang-tidy-$COMPILER_MAJOR_VERSION
 356   except:
 357     variables:
 358       - $GROMACS_RELEASE
 359
 360 configure-docs:
 361   extends:
 362     - .configure-docs
 363   needs:
 364     - job: simple-build
 365       artifacts: false
 366   variables:
 367     BUILD_DIR: build-docs
 368     CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_BUILD_MANUAL=on
 369   except:
 370     variables:
 371       - $GROMACS_RELEASE
 372
 373 configure-docs-gmxapi:
 374   extends:
 375     - .configure-docs
 376     - .configure-gmxapi-template
 377   needs:
 378     - job: simple-build
 379       artifacts: false
 380   variables:
 381     BUILD_DIR: build-docs-gmxapi
 382     CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_BUILD_MANUAL=on
 383   except:
 384     variables:
 385       - $GROMACS_RELEASE
 386
 387 # Only running in scheduled pipelines that are not release builds
 388 configure-archive-nightly:
 389   stage: nightly-configure
 390   only:
 391     - triggers
 392     - schedules
 393   needs:
 394     - job: simple-build
 395       artifacts: false
 396   except:
 397     variables:
 398       - $GROMACS_RELEASE
 399   extends:
 400     - .configure-docs
 401   variables:
 402     BUILD_DIR: build-package
 403     CMAKE_SIMD_OPTIONS: -DGMX_SIMD=None
 404     CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_USE_RDTSCP=OFF
 405     CMAKE_MPI_OPTIONS: -DGMX_THREAD_MPI=OFF -DGMX_OPENMP=OFF
 406
 407 configure-archive-release:
 408   only:
 409     refs:
 410       - web
 411       - triggers
 412       - schedules
 413     variables:
 414       - $GROMACS_RELEASE
 415
 416   extends:
 417     - .configure-docs
 418   variables:
 419     BUILD_DIR: build-package
 420     CMAKE_SIMD_OPTIONS: -DGMX_SIMD=None
 421     CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_USE_RDTSCP=OFF
 422     CMAKE_MPI_OPTIONS: -DGMX_THREAD_MPI=OFF -DGMX_OPENMP=OFF
 423
 424 # Jobs running during build stage
 425 build-gcc-7:
 426   extends:
 427     - .build-gcc
 428     - .gcc7-template
 429   needs:
 430     - job: simple-build
 431       artifacts: false
 432     - job: configure-gcc-7
 433       artifacts: true
 434   except:
 435     variables:
 436       - $GROMACS_RELEASE
 437
 438
 439 build-gcc-7-gmxapi:
 440   extends:
 441     - .build-gcc
 442     - .gmxapi-extra-installs
 443     - .gcc7-template
 444   needs:
 445     - job: simple-build
 446       artifacts: false
 447     - job: configure-gcc-7-gmxapi
 448       artifacts: true
 449   except:
 450     variables:
 451       - $GROMACS_RELEASE
 452
 453 build-gcc-7-double:
 454   extends:
 455     - .build-gcc
 456     - .gcc7-template
 457   needs:
 458     - job: simple-build
 459       artifacts: false
 460     - job: configure-gcc-7-double
 461       artifacts: true
 462   except:
 463     variables:
 464       - $GROMACS_RELEASE
 465
 466 build-gcc-8:
 467     extends:
 468       - .build-gcc
 469       - .gcc8-template
 470     needs:
 471       - job: simple-build
 472         artifacts: false
 473       - job: configure-gcc-8
 474         artifacts: true
 475     except:
 476       variables:
 477         - $GROMACS_RELEASE
 478
 479 build-gcc-8-cuda-10.2:
 480     extends:
 481       - .build-gcc-cuda
 482       - .gcc-8-cuda-10.2-template
 483     needs:
 484       - job: simple-build
 485         artifacts: false
 486       - job: configure-gcc-8-cuda-10.2
 487         artifacts: true
 488     except:
 489       variables:
 490         - $GROMACS_RELEASE
 491
 492 build-gcc-7-simd-sse41:
 493     extends:
 494       - .build-gcc
 495       - .gcc7-template
 496     needs:
 497       - job: simple-build
 498         artifacts: false
 499       - job: configure-gcc-7-simd-sse41
 500         artifacts: true
 501     except:
 502       variables:
 503         - $GROMACS_RELEASE
 504
 505 build-clang-7:
 506     extends:
 507       - .build-clang
 508       - .clang7-template
 509     needs:
 510       - job: simple-build
 511         artifacts: false
 512       - job: configure-clang-7
 513         artifacts: true
 514     except:
 515       variables:
 516         - $GROMACS_RELEASE
 517
 518 build-clang-7-gmxapi:
 519     extends:
 520       - .build-clang
 521       - .gmxapi-extra-installs
 522       - .clang7-template
 523     needs:
 524       - job: simple-build
 525         artifacts: false
 526       - job: configure-clang-7-gmxapi
 527         artifacts: true
 528     except:
 529       variables:
 530         - $GROMACS_RELEASE
 531
 532 build-clang-8:
 533     extends:
 534       - .build-clang
 535       - .clang8-template
 536     needs:
 537       - job: simple-build
 538         artifacts: false
 539       - job: configure-clang-8
 540         artifacts: true
 541     except:
 542       variables:
 543         - $GROMACS_RELEASE
 544
 545 build-clang-6:
 546     extends:
 547       - .build-clang
 548       - .clang6-template
 549     needs:
 550       - job: simple-build
 551         artifacts: false
 552       - job: configure-clang-6
 553         artifacts: true
 554     except:
 555       variables:
 556         - $GROMACS_RELEASE
 557
 558 # Jobs running during test stage
 559 test-gcc-7:
 560     extends:
 561       - .test-gcc
 562       - .gcc7-template
 563     needs:
 564       - job: simple-build
 565         artifacts: false
 566       - job: build-gcc-7
 567     except:
 568       variables:
 569         - $GROMACS_RELEASE
 570
 571 test-gcc-7-gmxapi:
 572     extends:
 573       - .test-gcc
 574       - .gmxapi-extra-installs
 575       - .gcc7-template
 576     needs:
 577       - job: simple-build
 578         artifacts: false
 579       - job: build-gcc-7-gmxapi
 580     except:
 581       variables:
 582         - $GROMACS_RELEASE
 583
 584 test-gcc-7-double:
 585     extends:
 586       - .test-gcc
 587       - .gcc7-template
 588     needs:
 589       - job: simple-build
 590         artifacts: false
 591       - job: build-gcc-7-double
 592     except:
 593       variables:
 594         - $GROMACS_RELEASE
 595
 596 test-gcc-8:
 597     extends:
 598       - .test-gcc
 599       - .gcc8-template
 600     needs:
 601       - job: simple-build
 602         artifacts: false
 603       - job: build-gcc-8
 604     except:
 605       variables:
 606         - $GROMACS_RELEASE
 607
 608 test-gcc-8-cuda-10.2:
 609     variables:
 610       KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
 611       KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
 612     extends:
 613       - .test-gcc-cuda
 614       - .gcc-8-cuda-10.2-template
 615     needs:
 616       - job: simple-build
 617         artifacts: false
 618       - job: build-gcc-8-cuda-10.2
 619     except:
 620       variables:
 621         - $GROMACS_RELEASE
 622
 623 test-gcc-7-simd-sse41:
 624     extends:
 625       - .test-gcc
 626       - .gcc7-template
 627     needs:
 628       - job: simple-build
 629         artifacts: false
 630       - job: build-gcc-7-simd-sse41
 631     except:
 632       variables:
 633         - $GROMACS_RELEASE
 634
 635 test-clang-7:
 636     extends:
 637       - .test-clang
 638       - .clang7-template
 639     needs:
 640       - job: simple-build
 641         artifacts: false
 642       - job: build-clang-7
 643     except:
 644       variables:
 645         - $GROMACS_RELEASE
 646
 647 test-clang-7-gmxapi:
 648     extends:
 649       - .test-clang
 650       - .gmxapi-extra-installs
 651       - .clang7-template
 652     needs:
 653       - job: simple-build
 654         artifacts: false
 655       - job: build-clang-7-gmxapi
 656     except:
 657       variables:
 658         - $GROMACS_RELEASE
 659
 660 test-clang-8:
 661     extends:
 662       - .test-clang
 663       - .clang8-template
 664     needs:
 665       - job: simple-build
 666         artifacts: false
 667       - job: build-clang-8
 668     except:
 669       variables:
 670         - $GROMACS_RELEASE
 671
 672 test-clang-6:
 673     extends:
 674       - .test-clang
 675       - .clang6-template
 676     needs:
 677       - job: simple-build
 678         artifacts: false
 679       - job: build-clang-6
 680     except:
 681       variables:
 682         - $GROMACS_RELEASE
 683
 684 # Jobs running in source checking stage
 685 build-clang-tidy:
 686   extends:
 687     - .build-gcc
 688     - .gcc8-template
 689   needs:
 690     - job: simple-build
 691       artifacts: false
 692     - job: configure-gcc-8
 693       artifacts: true
 694   except:
 695     variables:
 696       - $GROMACS_RELEASE
 697
 698 build-gcc-7-simd-sse41:
 699   extends:
 700     - .build-gcc
 701     - .gcc7-template
 702   needs:
 703     - job: simple-build
 704       artifacts: false
 705     - job: configure-gcc-7-simd-sse41
 706       artifacts: true
 707   except:
 708     variables:
 709       - $GROMACS_RELEASE
 710
 711 build-clang-7:
 712   extends:
 713     - .build-clang
 714     - .clang7-template
 715   needs:
 716     - job: simple-build
 717       artifacts: false
 718     - job: configure-clang-7
 719       artifacts: true
 720   except:
 721     variables:
 722       - $GROMACS_RELEASE
 723
 724 build-clang-7-gmxapi:
 725   extends:
 726     - .build-clang
 727     - .gmxapi-extra-installs
 728     - .clang7-template
 729   needs:
 730     - job: simple-build
 731       artifacts: false
 732     - job: configure-clang-7-gmxapi
 733       artifacts: true
 734   except:
 735     variables:
 736       - $GROMACS_RELEASE
 737
 738 build-clang-8:
 739   extends:
 740     - .build-clang
 741     - .clang8-template
 742   needs:
 743     - job: simple-build
 744       artifacts: false
 745     - job: configure-clang-8
 746       artifacts: true
 747   except:
 748     variables:
 749       - $GROMACS_RELEASE
 750
 751 build-clang-6:
 752   extends:
 753     - .build-clang
 754     - .clang6-template
 755   needs:
 756     - job: simple-build
 757       artifacts: false
 758     - job: configure-clang-6
 759       artifacts: true
 760   except:
 761     variables:
 762       - $GROMACS_RELEASE
 763
 764 # Jobs running during test stage
 765 test-gcc-7:
 766   extends:
 767     - .test-gcc
 768     - .gcc7-template
 769   needs:
 770     - job: simple-build
 771       artifacts: false
 772     - job: build-gcc-7
 773   except:
 774     variables:
 775       - $GROMACS_RELEASE
 776
 777 test-gcc-7-gmxapi:
 778   extends:
 779     - .test-gcc
 780     - .gmxapi-extra-installs
 781     - .gcc7-template
 782   needs:
 783     - job: simple-build
 784       artifacts: false
 785     - job: build-gcc-7-gmxapi
 786   except:
 787     variables:
 788       - $GROMACS_RELEASE
 789
 790 test-gcc-7-double:
 791   extends:
 792     - .test-gcc
 793     - .gcc7-template
 794   needs:
 795     - job: simple-build
 796       artifacts: false
 797     - job: build-gcc-7-double
 798   except:
 799     variables:
 800       - $GROMACS_RELEASE
 801
 802 test-gcc-8:
 803   extends:
 804     - .test-gcc
 805     - .gcc8-template
 806   needs:
 807     - job: simple-build
 808       artifacts: false
 809     - job: build-gcc-8
 810   except:
 811     variables:
 812       - $GROMACS_RELEASE
 813
 814 test-gcc-7-simd-sse41:
 815   extends:
 816     - .test-gcc
 817     - .gcc7-template
 818   needs:
 819     - job: simple-build
 820       artifacts: false
 821     - job: build-gcc-7-simd-sse41
 822   except:
 823     variables:
 824       - $GROMACS_RELEASE
 825
 826 test-clang-7:
 827   extends:
 828     - .test-clang
 829     - .clang7-template
 830   needs:
 831     - job: simple-build
 832       artifacts: false
 833     - job: build-clang-7
 834   except:
 835     variables:
 836       - $GROMACS_RELEASE
 837
 838 test-clang-7-gmxapi:
 839   extends:
 840     - .test-clang
 841     - .gmxapi-extra-installs
 842     - .clang7-template
 843   needs:
 844     - job: simple-build
 845       artifacts: false
 846     - job: build-clang-7-gmxapi
 847   except:
 848     variables:
 849       - $GROMACS_RELEASE
 850
 851 test-clang-8:
 852   extends:
 853     - .test-clang
 854     - .clang8-template
 855   needs:
 856     - job: simple-build
 857       artifacts: false
 858     - job: build-clang-8
 859   except:
 860     variables:
 861       - $GROMACS_RELEASE
 862
 863 test-clang-6:
 864   extends:
 865     - .test-clang
 866     - .clang6-template
 867   needs:
 868     - job: simple-build
 869       artifacts: false
 870     - job: build-clang-6
 871   except:
 872     variables:
 873       - $GROMACS_RELEASE
 874
 875 # Jobs running in source checking stage
 876 build-clang-tidy:
 877   extends:
 878     - .build-clang
 879     - .clang7-template
 880   stage: source-check
 881   needs:
 882     - job: simple-build
 883       artifacts: false
 884     - job: configure-clang-tidy
 885       artifacts: true
 886   variables:
 887     BUILD_DIR: build-clang-tidy
 888     COMPILER_MAJOR_VERSION: 7
 889     EXTRA_INSTALLS: clang-tidy-$COMPILER_MAJOR_VERSION
 890   except:
 891     variables:
 892       - $GROMACS_RELEASE
 893
 894 run-clang-format:
 895   extends:
 896     - .binary-build-template
 897     - .no-cache-template
 898     - .variables-template
 899     - .tags-template
 900     - .clang-before-script-template
 901     - .build-clang-template
 902     - .clang7-template
 903   stage: source-check
 904   when: always
 905   needs:
 906     - job: simple-build
 907       artifacts: false
 908   variables:
 909     KUBERNETES_CPU_LIMIT: 1
 910     KUBERNETES_CPU_REQUEST: 1
 911     KUBERNETES_MEMORY_LIMIT: 2Gi
 912     COMPILER_MAJOR_VERSION: 7
 913     EXTRA_INSTALLS: clang-format-$COMPILER_MAJOR_VERSION
 914   except:
 915     variables:
 916       - $GROMACS_RELEASE
 917   script:
 918     - export CLANG_FORMAT=clang-format-$COMPILER_MAJOR_VERSION
 919     - admin/clang-format.sh check --rev=HEAD^ --warnings=clang-format.log
 920     - grep -iq "needs formatting" clang-format.log | tee formatting.txt || true
 921     - if [ -s formatting.txt ] ; then echo "clang-format.sh found issues"; exit 1; fi
 922   artifacts:
 923     when: on_failure
 924     paths:
 925       - clang-format.log
 926       - formatting.txt
 927
 928 run-copyright-check:
 929   extends:
 930     - .binary-build-template
 931     - .no-cache-template
 932     - .variables-template
 933     - .tags-template
 934     - .clang-before-script-template
 935     - .build-clang-template
 936     - .clang7-template
 937   stage: source-check
 938   when: always
 939   needs:
 940     - job: simple-build
 941       artifacts: false
 942   variables:
 943     KUBERNETES_CPU_LIMIT: 1
 944     KUBERNETES_CPU_REQUEST: 1
 945     KUBERNETES_MEMORY_LIMIT: 2Gi
 946   except:
 947     variables:
 948       - $GROMACS_RELEASE
 949   script:
 950     - admin/copyright.sh check --rev=HEAD^ --warnings=copyright.log
 951     - grep -iq "copyright year" copyright.log | tee years.log || true
 952     - grep -iq "copyright header" copyright.log | tee headers.log || true
 953     - if [[ -s years.log || -s headers.log ]] ; then
 954       echo "Copyright information needs updating" ;
 955       exit 1 ;
 956       fi
 957   artifacts:
 958     when: on_failure
 959     paths:
 960       - copyright.log
 961       - years.log
 962       - headers.log
 963
 964 run-check-source:
 965   extends:
 966     - .no-cache-template
 967     - .variables-template
 968     - .tags-template
 969     - .build-docs-binary-template
 970     - .documentation-before-script-template
 971   stage: source-check
 972   needs:
 973     - job: simple-build
 974       artifacts: false
 975     - job: build-docs
 976       artifacts: true
 977   variables:
 978     KUBERNETES_CPU_LIMIT: 1
 979     KUBERNETES_CPU_REQUEST: 1
 980     KUBERNETES_MEMORY_LIMIT: 2Gi
 981     BUILD_DIR: build-docs
 982     COMPILER_MAJOR_VERSION: 7
 983   except:
 984     variables:
 985       - $GROMACS_RELEASE
 986   script:
 987     - cd $BUILD_DIR
 988     - cmake --build . --target check-source
 989     - grep -qi "error" docs/doxygen/doxygen*log docs/doxygen/check-source.log | tee doxygenError.txt || true
 990     - grep -qi "warning" docs/doxygen/doxygen*log docs/doxygen/check-source.log | tee -a doxygenError.txt || true
 991     - if [ -s doxygenError.txt ] ; then echo "Found errors while running doxygen"; exit 1; fi
 992   artifacts:
 993     name: docs-artifacts-$CI_COMMIT_REF_SLUG
 994     when: always
 995     expire_in: 1 week
 996     paths:
 997       - $BUILD_DIR/docs/doxygen/doxygen-xml.log
 998       - $BUILD_DIR/docs/doxygen/check-source.log
 999
1000 # Jobs running during documentation build stage
1001 build-docs:
1002   extends:
1003     - .build-docs-binary
1004   stage: documentation
1005   needs:
1006     - job: simple-build
1007       artifacts: false
1008     - job: configure-docs
1009       artifacts: true
1010   variables:
1011     BUILD_DIR: build-docs
1012   except:
1013     variables:
1014       - $GROMACS_RELEASE
1015
1016 build-docs-gmxapi:
1017   extends:
1018     - .build-docs-binary
1019     - .gmxapi-extra-installs
1020   stage: documentation
1021   needs:
1022     - job: simple-build
1023       artifacts: false
1024     - job: configure-docs-gmxapi
1025       artifacts: true
1026   variables:
1027     BUILD_DIR: build-docs-gmxapi
1028   except:
1029     variables:
1030       - $GROMACS_RELEASE
1031
1032 # Jobs running in post-test stage
1033
1034 # The manual build is built separately so that errors in converting
1035 # Sphinx to LaTeX and compiling can always be found in the
1036 # all-output.txt file, while avoiding many thousands of lines of spam
1037 # from pdflatex for normal builds. This does reduce the available
1038 # parallel utilization, and so increases the build time.
1039 #
1040 # TODO why are the doxygen and sphinx log files disappearing
1041 # TODO use a feature from gitlab runner instead of using pipefail to get timings for the job
1042 webpage:
1043   extends:
1044     - .build-docs-webpage
1045   stage: post-test
1046   needs:
1047     - job: build-docs
1048       artifacts: true
1049     - job: run-check-source
1050       artifacts: false
1051   variables:
1052     BUILD_DIR: build-docs
1053   except:
1054     variables:
1055       - $GROMACS_RELEASE
1056
1057 webpage-gmxapi:
1058   extends:
1059     - .build-docs-webpage
1060     - .gmxapi-extra-installs
1061   stage: post-test
1062   needs:
1063     - job: build-docs-gmxapi
1064       artifacts: true
1065     - job: run-check-source
1066       artifacts: false
1067   variables:
1068     BUILD_DIR: build-docs-gmxapi
1069   except:
1070     variables:
1071       - $GROMACS_RELEASE
1072
1073
1074 # Jobs running in release stage
1075 linkchecker:
1076   extends:
1077     - .build-docs-webpage
1078   stage: nightly-build
1079   dependencies:
1080     - webpage-gmxapi
1081   only:
1082     - schedules
1083     - triggers
1084     - merge_requests
1085     - external_pull_requests
1086   except:
1087     variables:
1088       - $GROMACS_RELEASE
1089   variables:
1090     KUBERNETES_CPU_LIMIT: 1
1091     KUBERNETES_CPU_REQUEST: 1
1092     KUBERNETES_MEMORY_LIMIT: 2Gi
1093     BUILD_DIR: build-docs-gmxapi
1094   script:
1095     - cd $BUILD_DIR
1096     - linkchecker docs/html/index.html -f ../docs/linkcheckerrc -Fxml --ignore-url html-full
1097       --ignore-url html-user --ignore-url html-lib --ignore-url .tar.gz --ignore-url _sources
1098       -o xml
1099   artifacts:
1100     reports:
1101       junit: $BUILD_DIR/linkchecker-out.xml
1102
1103 build-archive-nightly:
1104   extends:
1105     - .build-archive
1106   stage: nightly-build
1107   needs:
1108     - job: simple-build
1109       artifacts: false
1110     - job: configure-archive-nightly
1111       artifacts: true
1112   only:
1113     - triggers
1114     - schedules
1115   except:
1116     variables:
1117       - $GROMACS_RELEASE
1118   variables:
1119     BUILD_DIR: build-package
1120
1121 webpage-nightly:
1122   extends:
1123     - .build-docs-webpage
1124     - .configure-gmxapi-template
1125   stage: nightly-deploy
1126   only:
1127     - triggers
1128     - schedules
1129   except:
1130     variables:
1131       - $GROMACS_RELEASE
1132   needs:
1133     - job: simple-build
1134       artifacts: false
1135     - job: linkchecker
1136       artifacts: false
1137     - job: webpage-gmxapi
1138       artifacts: true
1139   variables:
1140     BUILD_DIR: build-docs-gmxapi
1141   script:
1142     - tar czf webpage.tar.gz $BUILD_DIR/docs/html/
1143   artifacts:
1144     when: always
1145     paths:
1146       - webpage.tar.gz
1147
1148 package-regressiontests-release:
1149   extends:
1150     - .regressiontests-extends-template
1151     - .regressiontests-release-template
1152   needs:
1153     - job: prepare-release-version
1154       artifacts: true
1155   only:
1156     refs:
1157       - triggers
1158       - web
1159       - schedules
1160     variables:
1161       - $GROMACS_RELEASE
1162
1163
1164 package-archive-release:
1165   extends:
1166     - .build-archive
1167   stage: release-package
1168   needs:
1169     - job: configure-archive-release
1170       artifacts: true
1171   only:
1172     refs:
1173       - triggers
1174       - web
1175       - schedules
1176     variables:
1177       - $GROMACS_RELEASE
1178   variables:
1179     BUILD_DIR: build-package
1180
1181 release-verify:
1182   extends:
1183     - .regressiontests-extends-template
1184     - .release-verify-template
1185   only:
1186     refs:
1187       - triggers
1188       - web
1189       - schedules
1190     variables:
1191       - $GROMACS_RELEASE
1192   dependencies:
1193     - package-archive-release
1194     - package-regressiontests-release
1195     - prepare-release-version
1196
1197 webpage-configure-release:
1198   extends:
1199     - .configure-docs-release
1200     - .configure-gmxapi-template
1201     - .no-cache-template
1202   only:
1203     refs:
1204       - web
1205       - schedules
1206       - triggers
1207     variables:
1208       - $GROMACS_RELEASE
1209   dependencies:
1210     - package-archive-release
1211     - package-regressiontests-release
1212     - prepare-release-version
1213   variables:
1214     CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_BUILD_MANUAL=on
1215
1216 configure-gcc-7-release:
1217   extends:
1218     - .configure-gcc-release
1219     - .no-cache-template
1220     - .gcc7-template
1221   variables:
1222     COMPILER_MAJOR_VERSION: 7
1223     RELEASE_BUILD_DIR: release-builds-gcc
1224   only:
1225     refs:
1226       - web
1227       - schedules
1228       - triggers
1229     variables:
1230       - $GROMACS_RELEASE
1231   dependencies:
1232     - package-archive-release
1233     - package-regressiontests-release
1234     - prepare-release-version
1235
1236 configure-gcc-7-gmxapi-release:
1237   extends:
1238     - .configure-gcc-release
1239     - .configure-gmxapi-template
1240     - .no-cache-template
1241     - .gcc7-template
1242   variables:
1243     COMPILER_MAJOR_VERSION: 7
1244     RELEASE_BUILD_DIR: release-builds-gcc
1245   only:
1246     refs:
1247       - web
1248       - schedules
1249       - triggers
1250     variables:
1251       - $GROMACS_RELEASE
1252   dependencies:
1253     - package-archive-release
1254     - package-regressiontests-release
1255     - prepare-release-version
1256
1257 configure-gcc-7-double-release:
1258   extends:
1259     - .configure-gcc-release
1260     - .no-cache-template
1261     - .gcc7-template
1262   variables:
1263     COMPILER_MAJOR_VERSION: 7
1264     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
1265     RELEASE_BUILD_DIR: release-builds-gcc
1266   only:
1267     refs:
1268       - web
1269       - schedules
1270       - triggers
1271     variables:
1272       - $GROMACS_RELEASE
1273   dependencies:
1274     - package-archive-release
1275     - package-regressiontests-release
1276     - prepare-release-version
1277
1278 configure-gcc-8-release:
1279   extends:
1280     - .configure-gcc-release
1281     - .no-cache-template
1282     - .gcc8-template
1283   variables:
1284     COMPILER_MAJOR_VERSION: 8
1285     RELEASE_BUILD_DIR: release-builds-gcc
1286   only:
1287     refs:
1288       - web
1289       - schedules
1290       - triggers
1291     variables:
1292       - $GROMACS_RELEASE
1293   dependencies:
1294     - package-archive-release
1295     - package-regressiontests-release
1296     - prepare-release-version
1297
1298 configure-clang-7-release:
1299   extends:
1300     - .configure-clang-release
1301     - .no-cache-template
1302     - .clang7-template
1303   variables:
1304     COMPILER_MAJOR_VERSION: 7
1305     RELEASE_BUILD_DIR: release-builds-clang
1306   only:
1307     refs:
1308       - web
1309       - schedules
1310       - triggers
1311     variables:
1312       - $GROMACS_RELEASE
1313   dependencies:
1314     - package-archive-release
1315     - package-regressiontests-release
1316     - prepare-release-version
1317
1318 configure-clang-7-gmxapi-release:
1319   extends:
1320     - .configure-clang-release
1321     - .configure-gmxapi-template
1322     - .no-cache-template
1323     - .clang7-template
1324   variables:
1325     COMPILER_MAJOR_VERSION: 7
1326     RELEASE_BUILD_DIR: release-builds-clang
1327   only:
1328     refs:
1329       - web
1330       - schedules
1331       - triggers
1332     variables:
1333       - $GROMACS_RELEASE
1334   dependencies:
1335     - package-archive-release
1336     - package-regressiontests-release
1337     - prepare-release-version
1338
1339 configure-clang-8-release:
1340   extends:
1341     - .configure-clang-release
1342     - .no-cache-template
1343     - .clang8-template
1344   variables:
1345     COMPILER_MAJOR_VERSION: 8
1346     RELEASE_BUILD_DIR: release-builds-clang
1347   only:
1348     refs:
1349       - web
1350       - schedules
1351       - triggers
1352     variables:
1353       - $GROMACS_RELEASE
1354   dependencies:
1355     - package-archive-release
1356     - package-regressiontests-release
1357     - prepare-release-version
1358
1359 build-gcc-7-release:
1360   extends:
1361     - .build-gcc
1362     - .gcc7-template
1363   stage: release-build
1364   variables:
1365     BUILD_DIR: release-builds-gcc
1366   needs:
1367     - job: configure-gcc-7-release
1368       artifacts: true
1369   only:
1370     refs:
1371       - web
1372       - schedules
1373       - triggers
1374     variables:
1375       - $GROMACS_RELEASE
1376
1377 build-gcc-7-gmxapi-release:
1378   extends:
1379     - .build-gcc
1380     - .gmxapi-extra-installs
1381     - .gcc7-template
1382   stage: release-build
1383   variables:
1384     BUILD_DIR: release-builds-gcc
1385   needs:
1386     - job: configure-gcc-7-gmxapi-release
1387       artifacts: true
1388   only:
1389     refs:
1390       - web
1391       - schedules
1392       - triggers
1393     variables:
1394       - $GROMACS_RELEASE
1395
1396 build-gcc-7-double-release:
1397   extends:
1398     - .build-gcc
1399     - .gcc7-template
1400   stage: release-build
1401   variables:
1402     BUILD_DIR: release-builds-gcc
1403   needs:
1404     - job: configure-gcc-7-double-release
1405       artifacts: true
1406   only:
1407     refs:
1408       - web
1409       - schedules
1410       - triggers
1411     variables:
1412       - $GROMACS_RELEASE
1413
1414 build-gcc-8-release:
1415   extends:
1416     - .build-gcc
1417     - .gcc8-template
1418   stage: release-build
1419   variables:
1420     BUILD_DIR: release-builds-gcc
1421   needs:
1422     - job: configure-gcc-8-release
1423       artifacts: true
1424   only:
1425     refs:
1426       - web
1427       - schedules
1428       - triggers
1429     variables:
1430       - $GROMACS_RELEASE
1431
1432 build-clang-7-release:
1433   extends:
1434     - .build-clang
1435     - .clang7-template
1436   stage: release-build
1437   variables:
1438     BUILD_DIR: release-builds-clang
1439   needs:
1440     - job: configure-clang-7-release
1441       artifacts: true
1442   only:
1443     refs:
1444       - web
1445       - schedules
1446       - triggers
1447     variables:
1448       - $GROMACS_RELEASE
1449
1450 build-clang-7-gmxapi-release:
1451   extends:
1452     - .build-clang
1453     - .gmxapi-extra-installs
1454     - .clang7-template
1455   stage: release-build
1456   variables:
1457     BUILD_DIR: release-builds-clang
1458   needs:
1459     - job: configure-clang-7-gmxapi-release
1460       artifacts: true
1461   only:
1462     refs:
1463       - web
1464       - schedules
1465       - triggers
1466     variables:
1467       - $GROMACS_RELEASE
1468
1469 build-clang-8-release:
1470   extends:
1471     - .build-clang
1472     - .clang8-template
1473   stage: release-build
1474   variables:
1475     BUILD_DIR: release-builds-clang
1476   needs:
1477     - job: configure-clang-8-release
1478       artifacts: true
1479   only:
1480     refs:
1481       - web
1482       - schedules
1483       - triggers
1484     variables:
1485       - $GROMACS_RELEASE
1486
1487 webpage-binary-release:
1488   extends:
1489     - .build-docs-binary
1490     - .gmxapi-extra-installs
1491   stage: release-build
1492   needs:
1493     - job: webpage-configure-release
1494       artifacts: true
1495   variables:
1496     BUILD_DIR: release-doc-builds
1497   only:
1498     refs:
1499       - triggers
1500       - web
1501       - schedules
1502     variables:
1503       - $GROMACS_RELEASE
1504
1505 test-gcc-7-release:
1506   extends:
1507     - .test-gcc
1508     - .gcc7-template
1509   stage: release-tests
1510   variables:
1511     BUILD_DIR: release-builds-gcc
1512   needs:
1513     - job: configure-gcc-7-release
1514       artifacts: true
1515     - job: build-gcc-7-release
1516       artifacts: true
1517   only:
1518     refs:
1519       - triggers
1520       - web
1521       - schedules
1522     variables:
1523       - $GROMACS_RELEASE
1524
1525 test-gcc-7-gmxapi-release:
1526   extends:
1527     - .test-gcc
1528     - .gmxapi-extra-installs
1529     - .gcc7-template
1530   stage: release-tests
1531   variables:
1532     BUILD_DIR: release-builds-gcc
1533   needs:
1534     - job: configure-gcc-7-gmxapi-release
1535       artifacts: true
1536     - job: build-gcc-7-gmxapi-release
1537       artifacts: true
1538   only:
1539     refs:
1540       - triggers
1541       - web
1542       - schedules
1543     variables:
1544       - $GROMACS_RELEASE
1545
1546 test-gcc-7-double-release:
1547   extends:
1548     - .test-gcc
1549     - .gcc7-template
1550   stage: release-tests
1551   variables:
1552     BUILD_DIR: release-builds-gcc
1553   needs:
1554     - job: configure-gcc-7-double-release
1555       artifacts: true
1556     - job: build-gcc-7-double-release
1557       artifacts: true
1558   only:
1559     refs:
1560       - triggers
1561       - web
1562       - schedules
1563     variables:
1564       - $GROMACS_RELEASE
1565
1566 test-gcc-8-release:
1567   extends:
1568     - .test-gcc
1569     - .gcc8-template
1570   stage: release-tests
1571   variables:
1572     BUILD_DIR: release-builds-gcc
1573   needs:
1574     - job: configure-gcc-8-release
1575       artifacts: true
1576     - job: build-gcc-8-release
1577       artifacts: true
1578   only:
1579     refs:
1580       - triggers
1581       - web
1582       - schedules
1583     variables:
1584       - $GROMACS_RELEASE
1585
1586 test-clang-7-release:
1587   extends:
1588     - .test-clang
1589     - .clang7-template
1590   stage: release-tests
1591   variables:
1592     BUILD_DIR: release-builds-clang
1593   needs:
1594     - job: configure-clang-7-release
1595       artifacts: true
1596     - job: build-clang-7-release
1597       artifacts: true
1598   only:
1599     refs:
1600       - triggers
1601       - web
1602       - schedules
1603     variables:
1604       - $GROMACS_RELEASE
1605
1606 test-clang-7-gmxapi-release:
1607   extends:
1608     - .test-clang
1609     - .gmxapi-extra-installs
1610     - .clang7-template
1611   stage: release-tests
1612   variables:
1613     BUILD_DIR: release-builds-clang
1614   needs:
1615     - job: configure-clang-7-gmxapi-release
1616       artifacts: true
1617     - job: build-clang-7-gmxapi-release
1618       artifacts: true
1619   only:
1620     refs:
1621       - triggers
1622       - web
1623       - schedules
1624     variables:
1625       - $GROMACS_RELEASE
1626
1627 test-clang-8-release:
1628   extends:
1629     - .test-clang
1630     - .clang8-template
1631   stage: release-tests
1632   variables:
1633     BUILD_DIR: release-builds-clang
1634   needs:
1635     - job: configure-clang-8-release
1636       artifacts: true
1637     - job: build-clang-8-release
1638       artifacts: true
1639   only:
1640     refs:
1641       - triggers
1642       - web
1643       - schedules
1644     variables:
1645       - $GROMACS_RELEASE
1646
1647 webpage-build-release:
1648   extends:
1649     - .build-docs-webpage
1650     - .configure-gmxapi-template
1651   dependencies:
1652     - webpage-binary-release
1653     - webpage-configure-release
1654   stage: release-prepare-deploy
1655   only:
1656     refs:
1657       - web
1658       - schedules
1659       - triggers
1660     variables:
1661       - $GROMACS_RELEASE
1662   variables:
1663     BUILD_DIR: release-doc-builds
1664
1665 webpage-archive-release:
1666   extends:
1667     - .build-docs-webpage
1668     - .configure-gmxapi-template
1669   stage: release-deploy
1670   only:
1671     refs:
1672       - web
1673       - triggers
1674       - schedules
1675     variables:
1676       - $GROMACS_RELEASE
1677   dependencies:
1678     - webpage-build-release
1679     - package-archive-release
1680     - package-regressiontests-release
1681   variables:
1682     BUILD_DIR: release-doc-builds
1683   script:
1684     - tar czf webpage.tar.gz $BUILD_DIR/docs/html/
1685   artifacts:
1686     when: always
1687     paths:
1688       - webpage.tar.gz
1689       - gromacs-*tar.gz
1690       - regressiontests-*tar.gz
1691