q-e/.gitlab-ci.yml at develop · QEF/q-e · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
build:cmake-gnu:
  tags: [gitlab-org-docker]
  image: ubuntu:20.04
  variables:
    DEBIAN_FRONTEND: "noninteractive"
  script:
    - apt-get -qq update
    - apt-get -qq install apt-transport-https ca-certificates gnupg software-properties-common wget
    - wget -O - https://apt.kitware.com/keys/kitware-archive-latest.asc 2>/dev/null | gpg --dearmor - | tee /etc/apt/trusted.gpg.d/kitware.gpg >/dev/null
    - apt-add-repository 'deb https://apt.kitware.com/ubuntu/ focal main'
    - apt-get install -qq build-essential git gfortran cmake libopenblas-dev libfftw3-dev libopenmpi-dev
    - cmake --version
    - mkdir build
    - cd build
    - cmake -DBUILD_SHARED_LIBS=ON -DCMAKE_Fortran_COMPILER=mpif90 -DCMAKE_C_COMPILER=mpicc
            -DMPIEXEC_PREFLAGS="--allow-run-as-root;--oversubscribe" .. && make -j 2
      && make pw ph hp pwcond neb pp pwall cp tddfpt gwl ld1 upf xspectra couple epw all_currents
      && ctest -j 2 -L unit --output-on-failure
    - make install DESTDIR=`pwd`/install_root


build:pgi:
  tags: [gitlab-org-docker]
  image: nvcr.io/nvidia/nvhpc:21.2-devel-cuda11.2-ubuntu20.04
  script:
    - apt-get -qq update
    - apt-get -qq install ca-certificates git m4
    - ./configure FC=pgf90 F90=pgf90 F77=pgfortran MPIF90=mpif90 --enable-openmp --with-cuda=yes --enable-cuda-env-check=no --with-cuda-runtime=11.2  --with-cuda-cc=70
    - make -j 2 pw cp ph


# Validate every INPUT_*.def with `helpdoc -strict` when a .def file or the
# helpdoc tooling changes.
docs:helpdoc-strict:
  tags: [gitlab-org-docker]
  image: ubuntu:24.04
  variables:
    DEBIAN_FRONTEND: "noninteractive"
  rules:
    # on-demand: manual pipeline trigger with GENERATE_DOCS=true
    - if: '$GENERATE_DOCS == "true"'
    # on-demand: commit message starts with [doc] or docs:
    - if: '$CI_COMMIT_MESSAGE =~ /^(\[doc\]|docs:)/'
    # automatic: MR touches a .def file or helpdoc tooling
    - if: '$CI_PIPELINE_SOURCE == "merge_request_event"'
      changes:
        - "**/INPUT_*.def"
        - dev-tools/helpdoc
        - dev-tools/helpdoc.d/**/*
        - dev-tools/helpdoc.schema
        - dev-tools/input_xx.xsl
    # automatic: same on master/develop
    - if: '$CI_COMMIT_BRANCH == "master" || $CI_COMMIT_BRANCH == "develop"'
      changes:
        - "**/INPUT_*.def"
        - dev-tools/helpdoc
        - dev-tools/helpdoc.d/**/*
        - dev-tools/helpdoc.schema
        - dev-tools/input_xx.xsl
  script:
    - apt-get -qq update
    - apt-get -qq install -y tcl tcllib xsltproc
    - |
      VERSION=$(awk -F\' '/version_number/{print $2}' include/qe_version.h)
      echo "Using helpdoc version string: $VERSION"
      fail=0
      for def in $(find . -path ./external -prune -o -name 'INPUT_*.def' -print | grep -v '/external/'); do
        d=$(dirname "$def"); b=$(basename "$def")
        cp -f dev-tools/input_xx.xsl "$d/" 2>/dev/null || true
        out=$(cd "$d" && ../../dev-tools/helpdoc -version "$VERSION" -strict "$b" 2>&1) || true
        if printf '%s\n' "$out" | grep -q 'passed strict validation'; then
          echo "  ok    $def"
        else
          fail=1
          echo "======================================================================"
          echo "  FAIL  $def"
          printf '%s\n' "$out" | grep -E '^[[:space:]]+\* |VALIDATION FAILED|ABORT' \
            || printf '%s\n' "$out" | tail -25
        fi
      done
      if [ "$fail" -ne 0 ]; then
        echo ""
        echo "######################################################################"
        echo "##  helpdoc --strict validation FAILED for one or more INPUT_*.def  ##"
        echo "##  see the per-file violations listed above                        ##"
        echo "######################################################################"
        exit 1
      fi
      echo ""
      echo "All INPUT_*.def files passed helpdoc --strict."
  artifacts:
    name: "helpdoc-html-$CI_COMMIT_REF_SLUG"
    when: always
    expire_in: 1 week
    paths:
      - "**/INPUT_*.html"
      - "**/INPUT_*.xml"