.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-prepare-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   # Unit 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-prepare-extends-template
 183       - .regressiontests-template
 184
 185 prepare-release-version:
 186     extends:
 187       - .regressiontests-prepare-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       - web
 392       - triggers
 393       - schedules
 394     needs:
 395       - job: simple-build
 396         artifacts: false
 397     except:
 398       variables:
 399         - $GROMACS_RELEASE
 400     extends:
 401       - .configure-docs
 402     variables:
 403         BUILD_DIR: build-package
 404         CMAKE_SIMD_OPTIONS: -DGMX_SIMD=None
 405         CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_USE_RDTSCP=OFF
 406         CMAKE_MPI_OPTIONS: -DGMX_THREAD_MPI=OFF -DGMX_OPENMP=OFF
 407
 408 configure-archive-release:
 409     only:
 410       refs:
 411         - web
 412         - triggers
 413         - schedules
 414       variables:
 415         - $GROMACS_RELEASE
 416
 417     extends:
 418       - .configure-docs
 419     variables:
 420         BUILD_DIR: build-package
 421         CMAKE_SIMD_OPTIONS: -DGMX_SIMD=None
 422         CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_USE_RDTSCP=OFF
 423         CMAKE_MPI_OPTIONS: -DGMX_THREAD_MPI=OFF -DGMX_OPENMP=OFF
 424
 425 # Jobs running during build stage
 426 build-gcc-7:
 427     extends:
 428       - .build-gcc
 429       - .gcc7-template
 430     needs:
 431       - job: simple-build
 432         artifacts: false
 433       - job: configure-gcc-7
 434         artifacts: true
 435     except:
 436       variables:
 437         - $GROMACS_RELEASE
 438
 439
 440 build-gcc-7-gmxapi:
 441     extends:
 442       - .build-gcc
 443       - .gmxapi-extra-installs
 444       - .gcc7-template
 445     needs:
 446       - job: simple-build
 447         artifacts: false
 448       - job: configure-gcc-7-gmxapi
 449         artifacts: true
 450     except:
 451       variables:
 452         - $GROMACS_RELEASE
 453
 454 build-gcc-7-double:
 455     extends:
 456       - .build-gcc
 457       - .gcc7-template
 458     needs:
 459       - job: simple-build
 460         artifacts: false
 461       - job: configure-gcc-7-double
 462         artifacts: true
 463     except:
 464       variables:
 465         - $GROMACS_RELEASE
 466
 467 build-gcc-8:
 468     extends:
 469       - .build-gcc
 470       - .gcc8-template
 471     needs:
 472       - job: simple-build
 473         artifacts: false
 474       - job: configure-gcc-8
 475         artifacts: true
 476     except:
 477       variables:
 478         - $GROMACS_RELEASE
 479
 480 build-gcc-8-cuda-10.2:
 481     extends:
 482       - .build-gcc-cuda
 483       - .gcc-8-cuda-10.2-template
 484     needs:
 485       - job: simple-build
 486         artifacts: false
 487       - job: configure-gcc-8-cuda-10.2
 488         artifacts: true
 489     except:
 490       variables:
 491         - $GROMACS_RELEASE
 492
 493 build-gcc-7-simd-sse41:
 494     extends:
 495       - .build-gcc
 496       - .gcc7-template
 497     needs:
 498       - job: simple-build
 499         artifacts: false
 500       - job: configure-gcc-7-simd-sse41
 501         artifacts: true
 502     except:
 503       variables:
 504         - $GROMACS_RELEASE
 505
 506 build-clang-7:
 507     extends:
 508       - .build-clang
 509       - .clang7-template
 510     needs:
 511       - job: simple-build
 512         artifacts: false
 513       - job: configure-clang-7
 514         artifacts: true
 515     except:
 516       variables:
 517         - $GROMACS_RELEASE
 518
 519 build-clang-7-gmxapi:
 520     extends:
 521       - .build-clang
 522       - .gmxapi-extra-installs
 523       - .clang7-template
 524     needs:
 525       - job: simple-build
 526         artifacts: false
 527       - job: configure-clang-7-gmxapi
 528         artifacts: true
 529     except:
 530       variables:
 531         - $GROMACS_RELEASE
 532
 533 build-clang-8:
 534     extends:
 535       - .build-clang
 536       - .clang8-template
 537     needs:
 538       - job: simple-build
 539         artifacts: false
 540       - job: configure-clang-8
 541         artifacts: true
 542     except:
 543       variables:
 544         - $GROMACS_RELEASE
 545
 546 build-clang-6:
 547     extends:
 548       - .build-clang
 549       - .clang6-template
 550     needs:
 551       - job: simple-build
 552         artifacts: false
 553       - job: configure-clang-6
 554         artifacts: true
 555     except:
 556       variables:
 557         - $GROMACS_RELEASE
 558
 559 # Jobs running during test stage
 560 test-gcc-7:
 561     extends:
 562       - .test-gcc
 563       - .gcc7-template
 564     needs:
 565       - job: simple-build
 566         artifacts: false
 567       - job: build-gcc-7
 568       - job: prepare-regressiontests
 569     except:
 570       variables:
 571         - $GROMACS_RELEASE
 572
 573 test-gcc-7-gmxapi:
 574     extends:
 575       - .test-gcc
 576       - .gmxapi-extra-installs
 577       - .gcc7-template
 578     needs:
 579       - job: simple-build
 580         artifacts: false
 581       - job: build-gcc-7-gmxapi
 582       - job: prepare-regressiontests
 583     except:
 584       variables:
 585         - $GROMACS_RELEASE
 586
 587 test-gcc-7-double:
 588     extends:
 589       - .test-gcc
 590       - .gcc7-template
 591     variables:
 592       REGRESSIONTEST_DOUBLE: "-double"
 593     needs:
 594       - job: simple-build
 595         artifacts: false
 596       - job: build-gcc-7-double
 597       - job: prepare-regressiontests
 598     except:
 599       variables:
 600         - $GROMACS_RELEASE
 601
 602 test-gcc-8:
 603     extends:
 604       - .test-gcc
 605       - .gcc8-template
 606     needs:
 607       - job: simple-build
 608         artifacts: false
 609       - job: build-gcc-8
 610       - job: prepare-regressiontests
 611     except:
 612       variables:
 613         - $GROMACS_RELEASE
 614
 615 test-gcc-8-cuda-10.2:
 616     variables:
 617       KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
 618       KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
 619     extends:
 620       - .test-gcc-cuda
 621       - .gcc-8-cuda-10.2-template
 622     variables:
 623       REGRESSIONTEST_PME_RANK_NUMBER: 0
 624       REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
 625       REGRESSIONTEST_OMP_RANK_NUMBER: 1
 626     needs:
 627       - job: simple-build
 628         artifacts: false
 629       - job: build-gcc-8-cuda-10.2
 630       - job: prepare-regressiontests
 631     except:
 632       variables:
 633         - $GROMACS_RELEASE
 634
 635 test-gcc-7-simd-sse41:
 636     extends:
 637       - .test-gcc
 638       - .gcc7-template
 639     needs:
 640       - job: simple-build
 641         artifacts: false
 642       - job: build-gcc-7-simd-sse41
 643       - job: prepare-regressiontests
 644     except:
 645       variables:
 646         - $GROMACS_RELEASE
 647
 648 test-clang-7:
 649     extends:
 650       - .test-clang
 651       - .clang7-template
 652     needs:
 653       - job: simple-build
 654         artifacts: false
 655       - job: build-clang-7
 656       - job: prepare-regressiontests
 657     except:
 658       variables:
 659         - $GROMACS_RELEASE
 660
 661 test-clang-7-gmxapi:
 662     extends:
 663       - .test-clang
 664       - .gmxapi-extra-installs
 665       - .clang7-template
 666     needs:
 667       - job: simple-build
 668         artifacts: false
 669       - job: build-clang-7-gmxapi
 670       - job: prepare-regressiontests
 671     except:
 672       variables:
 673         - $GROMACS_RELEASE
 674
 675 test-clang-8:
 676     extends:
 677       - .test-clang
 678       - .clang8-template
 679     needs:
 680       - job: simple-build
 681         artifacts: false
 682       - job: build-clang-8
 683       - job: prepare-regressiontests
 684     except:
 685       variables:
 686         - $GROMACS_RELEASE
 687
 688 test-clang-6:
 689     extends:
 690       - .test-clang
 691       - .clang6-template
 692     variables:
 693       REGRESSIONTEST_OMP_RANK_NUMBER: 0
 694     needs:
 695       - job: simple-build
 696         artifacts: false
 697       - job: build-clang-6
 698       - job: prepare-regressiontests
 699     except:
 700       variables:
 701         - $GROMACS_RELEASE
 702
 703 # Jobs running in source checking stage
 704 build-clang-tidy:
 705   extends:
 706     - .build-clang
 707     - .clang7-template
 708   stage: source-check
 709   needs:
 710     - job: simple-build
 711       artifacts: false
 712     - job: configure-clang-tidy
 713       artifacts: true
 714   variables:
 715       BUILD_DIR: build-clang-tidy
 716       COMPILER_MAJOR_VERSION: 7
 717       EXTRA_INSTALLS: clang-tidy-$COMPILER_MAJOR_VERSION
 718   except:
 719     variables:
 720       - $GROMACS_RELEASE
 721
 722 run-clang-format:
 723   extends:
 724     - .binary-build-template
 725     - .no-cache-template
 726     - .variables-template
 727     - .tags-template
 728     - .clang-before-script-template
 729     - .build-clang-template
 730     - .clang7-template
 731   stage: source-check
 732   when: always
 733   needs:
 734     - job: simple-build
 735       artifacts: false
 736   variables:
 737       KUBERNETES_CPU_LIMIT: 1
 738       KUBERNETES_CPU_REQUEST: 1
 739       KUBERNETES_MEMORY_LIMIT: 2Gi
 740       COMPILER_MAJOR_VERSION: 7
 741       EXTRA_INSTALLS: clang-format-$COMPILER_MAJOR_VERSION
 742   except:
 743     variables:
 744       - $GROMACS_RELEASE
 745   script:
 746     - export CLANG_FORMAT=clang-format-$COMPILER_MAJOR_VERSION
 747     - admin/clang-format.sh check --rev=HEAD^ --warnings=clang-format.log
 748     - grep -iq "needs formatting" clang-format.log | tee formatting.txt || true
 749     - if [ -s formatting.txt ] ; then echo "clang-format.sh found issues"; exit 1; fi
 750   artifacts:
 751     when: on_failure
 752     paths:
 753       - clang-format.log
 754       - formatting.txt
 755
 756 run-copyright-check:
 757   extends:
 758     - .binary-build-template
 759     - .no-cache-template
 760     - .variables-template
 761     - .tags-template
 762     - .clang-before-script-template
 763     - .build-clang-template
 764     - .clang7-template
 765
 766   stage: source-check
 767   when: always
 768   needs:
 769     - job: simple-build
 770       artifacts: false
 771   variables:
 772       KUBERNETES_CPU_LIMIT: 1
 773       KUBERNETES_CPU_REQUEST: 1
 774       KUBERNETES_MEMORY_LIMIT: 2Gi
 775   except:
 776     variables:
 777       - $GROMACS_RELEASE
 778   script:
 779     - admin/copyright.sh check --rev=HEAD^ --warnings=copyright.log
 780     - grep -iq "copyright year" copyright.log | tee years.log || true
 781     - grep -iq "copyright header" copyright.log | tee headers.log || true
 782     - if [[ -s years.log || -s headers.log ]] ; then
 783       echo "Copyright information needs updating" ;
 784       exit 1 ;
 785       fi
 786   artifacts:
 787     when: on_failure
 788     paths:
 789       - copyright.log
 790       - years.log
 791       - headers.log
 792
 793 run-check-source:
 794   extends:
 795     - .no-cache-template
 796     - .variables-template
 797     - .tags-template
 798     - .build-docs-binary-template
 799     - .documentation-before-script-template
 800   stage: source-check
 801   needs:
 802     - job: simple-build
 803       artifacts: false
 804     - job: build-docs
 805       artifacts: true
 806   variables:
 807     KUBERNETES_CPU_LIMIT: 1
 808     KUBERNETES_CPU_REQUEST: 1
 809     KUBERNETES_MEMORY_LIMIT: 2Gi
 810     BUILD_DIR: build-docs
 811     COMPILER_MAJOR_VERSION: 7
 812   except:
 813     variables:
 814       - $GROMACS_RELEASE
 815
 816   script:
 817     - cd $BUILD_DIR
 818     - cmake --build . --target check-source
 819     - grep -qi "error" docs/doxygen/doxygen*log docs/doxygen/check-source.log | tee doxygenError.txt || true
 820     - grep -qi "warning" docs/doxygen/doxygen*log docs/doxygen/check-source.log | tee -a doxygenError.txt || true
 821     - if [ -s doxygenError.txt ] ; then echo "Found errors while running doxygen"; exit 1; fi
 822   artifacts:
 823     name: docs-artifacts-$CI_COMMIT_REF_SLUG
 824     when: always
 825     expire_in: 1 week
 826     paths:
 827       - $BUILD_DIR/docs/doxygen/doxygen-xml.log
 828       - $BUILD_DIR/docs/doxygen/check-source.log
 829
 830 # Jobs running during documentation build stage
 831 build-docs:
 832   extends:
 833     - .build-docs-binary
 834   stage: documentation
 835   needs:
 836     - job: simple-build
 837       artifacts: false
 838     - job: configure-docs
 839       artifacts: true
 840   variables:
 841     BUILD_DIR: build-docs
 842   except:
 843     variables:
 844       - $GROMACS_RELEASE
 845
 846 build-docs-gmxapi:
 847     extends:
 848       - .build-docs-binary
 849       - .gmxapi-extra-installs
 850     stage: documentation
 851     needs:
 852       - job: simple-build
 853         artifacts: false
 854       - job: configure-docs-gmxapi
 855         artifacts: true
 856     variables:
 857         BUILD_DIR: build-docs-gmxapi
 858     except:
 859       variables:
 860         - $GROMACS_RELEASE
 861
 862 # Jobs running in post-test stage
 863
 864 # The manual build is built separately so that errors in converting
 865 # Sphinx to LaTeX and compiling can always be found in the
 866 # all-output.txt file, while avoiding many thousands of lines of spam
 867 # from pdflatex for normal builds. This does reduce the available
 868 # parallel utilization, and so increases the build time.
 869 #
 870 # TODO why are the doxygen and sphinx log files disappearing
 871 # TODO use a feature from gitlab runner instead of using pipefail to get timings for the job
 872 webpage:
 873   extends:
 874     - .build-docs-webpage
 875   stage: post-test
 876   needs:
 877     - job: build-docs
 878       artifacts: true
 879     - job: run-check-source
 880       artifacts: false
 881   variables:
 882     BUILD_DIR: build-docs
 883   except:
 884     variables:
 885       - $GROMACS_RELEASE
 886
 887 webpage-gmxapi:
 888   extends:
 889     - .build-docs-webpage
 890     - .gmxapi-extra-installs
 891   stage: post-test
 892   needs:
 893     - job: build-docs-gmxapi
 894       artifacts: true
 895     - job: run-check-source
 896       artifacts: false
 897   variables:
 898     BUILD_DIR: build-docs-gmxapi
 899   except:
 900     variables:
 901       - $GROMACS_RELEASE
 902
 903
 904 # Jobs running in release stage
 905 linkchecker:
 906   extends:
 907     - .build-docs-webpage
 908   stage: nightly-build
 909   dependencies:
 910     - webpage-gmxapi
 911   only:
 912     - web
 913     - schedules
 914     - triggers
 915     - merge_requests
 916   except:
 917     variables:
 918       - $GROMACS_RELEASE
 919   variables:
 920       KUBERNETES_CPU_LIMIT: 1
 921       KUBERNETES_CPU_REQUEST: 1
 922       KUBERNETES_MEMORY_LIMIT: 2Gi
 923       BUILD_DIR: build-docs-gmxapi
 924   script:
 925       - cd $BUILD_DIR
 926       - linkchecker docs/html/index.html -f ../docs/linkcheckerrc -Fxml --ignore-url html-full
 927         --ignore-url html-user --ignore-url html-lib --ignore-url .tar.gz --ignore-url _sources
 928         -o xml
 929   artifacts:
 930     reports:
 931       junit: $BUILD_DIR/linkchecker-out.xml
 932
 933 build-archive-nightly:
 934     extends:
 935       - .build-archive
 936     stage: nightly-build
 937     needs:
 938       - job: simple-build
 939         artifacts: false
 940       - job: configure-archive-nightly
 941         artifacts: true
 942     only:
 943       - web
 944       - triggers
 945       - schedules
 946     except:
 947       variables:
 948         - $GROMACS_RELEASE
 949     variables:
 950         BUILD_DIR: build-package
 951
 952 webpage-nightly:
 953     extends:
 954       - .build-docs-webpage
 955       - .configure-gmxapi-template
 956     stage: nightly-deploy
 957     only:
 958       - web
 959       - triggers
 960       - schedules
 961     except:
 962       variables:
 963         - $GROMACS_RELEASE
 964     needs:
 965       - job: simple-build
 966         artifacts: false
 967       - job: linkchecker
 968         artifacts: false
 969       - job: webpage-gmxapi
 970         artifacts: true
 971     variables:
 972         BUILD_DIR: build-docs-gmxapi
 973     script:
 974         - tar czf webpage.tar.gz $BUILD_DIR/docs/html/
 975     artifacts:
 976       when: always
 977       paths:
 978         - webpage.tar.gz
 979
 980 package-regressiontests-release:
 981     extends:
 982       - .regressiontests-prepare-extends-template
 983       - .regressiontests-release-template
 984     needs:
 985       - job: prepare-release-version
 986         artifacts: true
 987
 988     only:
 989       refs:
 990         - triggers
 991         - web
 992         - schedules
 993       variables:
 994         - $GROMACS_RELEASE
 995
 996
 997 package-archive-release:
 998     extends:
 999       - .build-archive
1000     stage: release-package
1001     needs:
1002       - job: configure-archive-release
1003         artifacts: true
1004     only:
1005       refs:
1006         - triggers
1007         - web
1008         - schedules
1009       variables:
1010         - $GROMACS_RELEASE
1011     variables:
1012         BUILD_DIR: build-package
1013
1014 release-verify:
1015     extends:
1016       - .regressiontests-prepare-extends-template
1017       - .release-verify-template
1018
1019     only:
1020       refs:
1021         - triggers
1022         - web
1023         - schedules
1024       variables:
1025         - $GROMACS_RELEASE
1026     dependencies:
1027       - package-archive-release
1028       - package-regressiontests-release
1029       - prepare-release-version
1030
1031 webpage-configure-release:
1032     extends:
1033       - .configure-docs-release
1034       - .configure-gmxapi-template
1035       - .no-cache-template
1036     only:
1037       refs:
1038         - web
1039         - schedules
1040         - triggers
1041       variables:
1042         - $GROMACS_RELEASE
1043     dependencies:
1044       - package-archive-release
1045       - package-regressiontests-release
1046       - prepare-release-version
1047     variables:
1048       CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_BUILD_MANUAL=on
1049
1050 configure-gcc-7-release:
1051     extends:
1052       - .configure-gcc-release
1053       - .no-cache-template
1054       - .gcc7-template
1055     variables:
1056         COMPILER_MAJOR_VERSION: 7
1057         RELEASE_BUILD_DIR: release-builds-gcc
1058     only:
1059       refs:
1060         - web
1061         - schedules
1062         - triggers
1063       variables:
1064         - $GROMACS_RELEASE
1065     dependencies:
1066       - package-archive-release
1067       - package-regressiontests-release
1068       - prepare-release-version
1069
1070 configure-gcc-7-gmxapi-release:
1071     extends:
1072       - .configure-gcc-release
1073       - .configure-gmxapi-template
1074       - .no-cache-template
1075       - .gcc7-template
1076     variables:
1077         COMPILER_MAJOR_VERSION: 7
1078         RELEASE_BUILD_DIR: release-builds-gcc
1079     only:
1080       refs:
1081         - web
1082         - schedules
1083         - triggers
1084       variables:
1085         - $GROMACS_RELEASE
1086     dependencies:
1087       - package-archive-release
1088       - package-regressiontests-release
1089       - prepare-release-version
1090
1091 configure-gcc-7-double-release:
1092     extends:
1093       - .configure-gcc-release
1094       - .no-cache-template
1095       - .gcc7-template
1096     variables:
1097         COMPILER_MAJOR_VERSION: 7
1098         CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
1099         RELEASE_BUILD_DIR: release-builds-gcc
1100     only:
1101       refs:
1102         - web
1103         - schedules
1104         - triggers
1105       variables:
1106         - $GROMACS_RELEASE
1107     dependencies:
1108       - package-archive-release
1109       - package-regressiontests-release
1110       - prepare-release-version
1111
1112 configure-gcc-8-release:
1113     extends:
1114       - .configure-gcc-release
1115       - .no-cache-template
1116       - .gcc8-template
1117     variables:
1118         COMPILER_MAJOR_VERSION: 8
1119         RELEASE_BUILD_DIR: release-builds-gcc
1120     only:
1121       refs:
1122         - web
1123         - schedules
1124         - triggers
1125       variables:
1126         - $GROMACS_RELEASE
1127     dependencies:
1128       - package-archive-release
1129       - package-regressiontests-release
1130       - prepare-release-version
1131
1132 configure-clang-7-release:
1133     extends:
1134       - .configure-clang-release
1135       - .no-cache-template
1136       - .clang7-template
1137     variables:
1138         COMPILER_MAJOR_VERSION: 7
1139         RELEASE_BUILD_DIR: release-builds-clang
1140     only:
1141       refs:
1142         - web
1143         - schedules
1144         - triggers
1145       variables:
1146         - $GROMACS_RELEASE
1147     dependencies:
1148       - package-archive-release
1149       - package-regressiontests-release
1150       - prepare-release-version
1151
1152 configure-clang-7-gmxapi-release:
1153     extends:
1154       - .configure-clang-release
1155       - .configure-gmxapi-template
1156       - .no-cache-template
1157       - .clang7-template
1158     variables:
1159         COMPILER_MAJOR_VERSION: 7
1160         RELEASE_BUILD_DIR: release-builds-clang
1161     only:
1162       refs:
1163         - web
1164         - schedules
1165         - triggers
1166       variables:
1167         - $GROMACS_RELEASE
1168     dependencies:
1169       - package-archive-release
1170       - package-regressiontests-release
1171       - prepare-release-version
1172
1173 configure-clang-8-release:
1174     extends:
1175       - .configure-clang-release
1176       - .no-cache-template
1177       - .clang8-template
1178     variables:
1179         COMPILER_MAJOR_VERSION: 8
1180         RELEASE_BUILD_DIR: release-builds-clang
1181     only:
1182       refs:
1183         - web
1184         - schedules
1185         - triggers
1186       variables:
1187         - $GROMACS_RELEASE
1188     dependencies:
1189       - package-archive-release
1190       - package-regressiontests-release
1191       - prepare-release-version
1192
1193 build-gcc-7-release:
1194     extends:
1195       - .build-gcc
1196       - .gcc7-template
1197     stage: release-build
1198     variables:
1199         BUILD_DIR: release-builds-gcc
1200     needs:
1201       - job: configure-gcc-7-release
1202         artifacts: true
1203     only:
1204       refs:
1205         - web
1206         - schedules
1207         - triggers
1208       variables:
1209         - $GROMACS_RELEASE
1210
1211 build-gcc-7-gmxapi-release:
1212     extends:
1213       - .build-gcc
1214       - .gmxapi-extra-installs
1215       - .gcc7-template
1216     stage: release-build
1217     variables:
1218         BUILD_DIR: release-builds-gcc
1219     needs:
1220       - job: configure-gcc-7-gmxapi-release
1221         artifacts: true
1222     only:
1223       refs:
1224         - web
1225         - schedules
1226         - triggers
1227       variables:
1228         - $GROMACS_RELEASE
1229
1230 build-gcc-7-double-release:
1231     extends:
1232       - .build-gcc
1233       - .gcc7-template
1234     stage: release-build
1235     variables:
1236         BUILD_DIR: release-builds-gcc
1237     needs:
1238       - job: configure-gcc-7-double-release
1239         artifacts: true
1240     only:
1241       refs:
1242         - web
1243         - schedules
1244         - triggers
1245       variables:
1246         - $GROMACS_RELEASE
1247
1248 build-gcc-8-release:
1249     extends:
1250       - .build-gcc
1251       - .gcc8-template
1252     stage: release-build
1253     variables:
1254         BUILD_DIR: release-builds-gcc
1255     needs:
1256       - job: configure-gcc-8-release
1257         artifacts: true
1258     only:
1259       refs:
1260         - web
1261         - schedules
1262         - triggers
1263       variables:
1264         - $GROMACS_RELEASE
1265
1266 build-clang-7-release:
1267     extends:
1268       - .build-clang
1269       - .clang7-template
1270     stage: release-build
1271     variables:
1272         BUILD_DIR: release-builds-clang
1273     needs:
1274       - job: configure-clang-7-release
1275         artifacts: true
1276     only:
1277       refs:
1278         - web
1279         - schedules
1280         - triggers
1281       variables:
1282         - $GROMACS_RELEASE
1283
1284 build-clang-7-gmxapi-release:
1285     extends:
1286       - .build-clang
1287       - .gmxapi-extra-installs
1288       - .clang7-template
1289     stage: release-build
1290     variables:
1291         BUILD_DIR: release-builds-clang
1292     needs:
1293       - job: configure-clang-7-gmxapi-release
1294         artifacts: true
1295     only:
1296       refs:
1297         - web
1298         - schedules
1299         - triggers
1300       variables:
1301         - $GROMACS_RELEASE
1302
1303 build-clang-8-release:
1304     extends:
1305       - .build-clang
1306       - .clang8-template
1307     stage: release-build
1308     variables:
1309         BUILD_DIR: release-builds-clang
1310     needs:
1311       - job: configure-clang-8-release
1312         artifacts: true
1313     only:
1314       refs:
1315         - web
1316         - schedules
1317         - triggers
1318       variables:
1319         - $GROMACS_RELEASE
1320
1321 webpage-binary-release:
1322     extends:
1323       - .build-docs-binary
1324       - .gmxapi-extra-installs
1325     stage: release-build
1326     needs:
1327       - job: webpage-configure-release
1328         artifacts: true
1329     variables:
1330         BUILD_DIR: release-doc-builds
1331     only:
1332       refs:
1333         - triggers
1334         - web
1335         - schedules
1336       variables:
1337         - $GROMACS_RELEASE
1338
1339 test-gcc-7-release:
1340     extends:
1341       - .test-gcc
1342       - .gcc7-template
1343     stage: release-tests
1344     variables:
1345         BUILD_DIR: release-builds-gcc
1346     needs:
1347       - job: configure-gcc-7-release
1348         artifacts: true
1349       - job: build-gcc-7-release
1350         artifacts: true
1351       - job: prepare-regressiontests
1352     only:
1353       refs:
1354         - triggers
1355         - web
1356         - schedules
1357       variables:
1358         - $GROMACS_RELEASE
1359
1360 test-gcc-7-gmxapi-release:
1361     extends:
1362       - .test-gcc
1363       - .gmxapi-extra-installs
1364       - .gcc7-template
1365     stage: release-tests
1366     variables:
1367         BUILD_DIR: release-builds-gcc
1368     needs:
1369       - job: configure-gcc-7-gmxapi-release
1370         artifacts: true
1371       - job: build-gcc-7-gmxapi-release
1372         artifacts: true
1373       - job: prepare-regressiontests
1374     only:
1375       refs:
1376         - triggers
1377         - web
1378         - schedules
1379       variables:
1380         - $GROMACS_RELEASE
1381
1382 test-gcc-7-double-release:
1383     extends:
1384       - .test-gcc
1385       - .gcc7-template
1386     stage: release-tests
1387     variables:
1388         BUILD_DIR: release-builds-gcc
1389         REGRESSIONTEST_DOUBLE: "-double"
1390     needs:
1391       - job: configure-gcc-7-double-release
1392         artifacts: true
1393       - job: build-gcc-7-double-release
1394         artifacts: true
1395       - job: prepare-regressiontests
1396     only:
1397       refs:
1398         - triggers
1399         - web
1400         - schedules
1401       variables:
1402         - $GROMACS_RELEASE
1403
1404 test-gcc-8-release:
1405     extends:
1406       - .test-gcc
1407       - .gcc8-template
1408     stage: release-tests
1409     variables:
1410         BUILD_DIR: release-builds-gcc
1411     needs:
1412       - job: configure-gcc-8-release
1413         artifacts: true
1414       - job: build-gcc-8-release
1415         artifacts: true
1416       - job: prepare-regressiontests
1417     only:
1418       refs:
1419         - triggers
1420         - web
1421         - schedules
1422       variables:
1423         - $GROMACS_RELEASE
1424
1425 test-clang-7-release:
1426     extends:
1427       - .test-clang
1428       - .clang7-template
1429     stage: release-tests
1430     variables:
1431         BUILD_DIR: release-builds-clang
1432     needs:
1433       - job: configure-clang-7-release
1434         artifacts: true
1435       - job: build-clang-7-release
1436         artifacts: true
1437       - job: prepare-regressiontests
1438     only:
1439       refs:
1440         - triggers
1441         - web
1442         - schedules
1443       variables:
1444         - $GROMACS_RELEASE
1445
1446 test-clang-7-gmxapi-release:
1447     extends:
1448       - .test-clang
1449       - .gmxapi-extra-installs
1450       - .clang7-template
1451     stage: release-tests
1452     variables:
1453         BUILD_DIR: release-builds-clang
1454     needs:
1455       - job: configure-clang-7-gmxapi-release
1456         artifacts: true
1457       - job: build-clang-7-gmxapi-release
1458         artifacts: true
1459       - job: prepare-regressiontests
1460     only:
1461       refs:
1462         - triggers
1463         - web
1464         - schedules
1465       variables:
1466         - $GROMACS_RELEASE
1467
1468 test-clang-8-release:
1469     extends:
1470       - .test-clang
1471       - .clang8-template
1472     stage: release-tests
1473     variables:
1474         BUILD_DIR: release-builds-clang
1475     needs:
1476       - job: configure-clang-8-release
1477         artifacts: true
1478       - job: build-clang-8-release
1479         artifacts: true
1480       - job: prepare-regressiontests
1481     only:
1482       refs:
1483         - triggers
1484         - web
1485         - schedules
1486       variables:
1487         - $GROMACS_RELEASE
1488
1489 webpage-build-release:
1490   extends:
1491     - .build-docs-webpage
1492     - .configure-gmxapi-template
1493
1494   dependencies:
1495     - webpage-binary-release
1496     - webpage-configure-release
1497
1498   stage: release-prepare-deploy
1499   only:
1500     refs:
1501       - web
1502       - schedules
1503       - triggers
1504     variables:
1505       - $GROMACS_RELEASE
1506   variables:
1507       BUILD_DIR: release-doc-builds
1508
1509 webpage-archive-release:
1510     extends:
1511       - .build-docs-webpage
1512       - .configure-gmxapi-template
1513     stage: release-deploy
1514     only:
1515       refs:
1516         - web
1517         - triggers
1518         - schedules
1519       variables:
1520         - $GROMACS_RELEASE
1521     dependencies:
1522       - webpage-build-release
1523       - package-archive-release
1524       - package-regressiontests-release
1525     variables:
1526         BUILD_DIR: release-doc-builds
1527     script:
1528         - tar czf webpage.tar.gz $BUILD_DIR/docs/html/
1529     artifacts:
1530       when: always
1531       paths:
1532         - webpage.tar.gz
1533         - gromacs-*tar.gz
1534         - regressiontests-*tar.gz
1535