.gitlab-ci.yml

stages:
- build
- pre-package
- package
- deploy


variables:
  BRIEFCASE_VERSION: "0.3.20"


build:sdist:
  stage: build
  # Usually, a minimal image like `alpine` would be sufficient to build a sdist
  # but gr does not build on alpine currently and is a build dependency for pymoldyn.
  image: debian:12
  before_script:
  - apt-get update
  - apt-get install -y
      pipx
  script:
  - pipx run build --sdist
  artifacts:
    paths:
    - dist/*.tar.gz


build:wheel:linux:
  stage: build
  image: docker:latest
  tags:
  - privileged-executor
  variables:
    CIBW_ARCHS: "auto64"
    CIBW_BEFORE_BUILD: "python -m pip install wheel"
    CIBW_BUILD: "cp*-manylinux*"
    # Do not use `auditwheel` since libGR3.so would be detected as missing but will be loaded by the `gr` package.
    # Use the `wheel` command to retag the wheel as `manylinux2014_x86_64` (current default build image in CIBW)
    CIBW_REPAIR_WHEEL_COMMAND: >
      manylinux_wheel_filename=$(python -m wheel tags --platform-tag manylinux2014_x86_64 {wheel}) &&
      mv $(dirname {wheel})/$${manylinux_wheel_filename} {dest_dir}/
  before_script:
  - apk --no-cache add pipx
  script:
  - pipx run 'cibuildwheel <3' --output-dir dist
  artifacts:
    paths:
    - dist/*.whl


build:wheel:macos:
  stage: build
  image: macos:sonoma-xcode
  tags:
  - utm
  variables:
    CIBW_ARCHS: "universal2 x86_64 arm64"
    CIBW_BUILD: "cp*"
    CIBW_REPAIR_WHEEL_COMMAND: ""  # libGR3.so would be detected as missing but will be loaded by the `gr` package
  before_script:
  - /usr/bin/python3 -m pip install 'cibuildwheel <3'
  script:
  - /usr/bin/python3 -m cibuildwheel --output-dir dist
  artifacts:
    paths:
    - dist/*.whl


build:wheel:windows:
  stage: build
  image: windows:10-python3
  tags:
  - libvirt
  variables:
    CIBW_ARCHS: "auto64"
    CIBW_BUILD: "cp*"
    CIBW_REPAIR_WHEEL_COMMAND: ""  # libGR3.dll could be detected as missing but will be loaded by the `gr` package
  before_script:
  - vcvars_cmd python -m pip install 'cibuildwheel <3'
  script:
  - vcvars_cmd python -m cibuildwheel --output-dir dist
  artifacts:
    paths:
    - dist/*.whl


pre-package:
  stage: pre-package
  image: debian:12
  needs: []
  before_script:
  - apt-get update
  - apt-get install -y
      gawk
      git
      pipx
      vim
  - export PATH="${HOME}/.local/bin:${PATH}"
  # Upgrade `pipx` since it is quite old in Debian bookworm and does not support to run scripts with `pipx run`
  - pipx install pipx
  - pipx install "briefcase==${BRIEFCASE_VERSION}"
  script:
  - project_name="$(
      gawk
        -F'[="[:space:]]+'
        '$1 == "name" {
          print $2
        }'
        pyproject.toml
    )"
  - project_name_lowercase="$(echo "$project_name" | tr '[:upper:]' '[:lower:]')"
  - project_version="$(
      python3 -c "$(
        gawk
          -F'[={}"[:space:]]+'
          '$1 == "version" && $2 == "attr" {
            match($3, "(.+)\\.(.+)", c);
            printf(
              "import runpy;  g = runpy.run_path(\"%s\".replace(\".\", \"/\") + \".py\"); print(g[\"%s\"])\n",
              c[1],
              c[2]
            )
          }'
          pyproject.toml
      )"
    )"
  - |
    cat <<'EOF' >convert_icon.py
    #!/usr/bin/env -S pipx run

    # /// script
    # requires-python = ">=3.9"
    # dependencies = [
    #   "pillow",
    # ]
    # ///


    import os
    import sys

    from PIL import Image


    def create_iconset(icon_path):
        icon_out_path_template = os.path.splitext(icon_path)[0] + "-{size}.png"
        original_icon = Image.open(icon_path)
        for filepath, size in (
            (icon_out_path_template.format(size=size), size) for size in (16, 32, 64, 128, 256, 512)
        ):
            resized_icon = original_icon.resize((size, size), Image.LANCZOS)
            resized_icon.save(filepath)


    def main():
        create_iconset(sys.argv[1])


    if __name__ == "__main__":
        main()
    EOF
  - chmod +x convert_icon.py
  - touch CHANGELOG
  - ./convert_icon.py "${project_name_lowercase}/icon.png"
  - briefcase convert --no-input
  - ex
      -s
      "+%s/^project_name = *\".*/project_name = \"${project_name}\"/"
      "+%s/^formal_name = *\".*/formal_name = \"${project_name}\"/"
      '+%s/^bundle =.*/bundle = "de.fzj"/'
      "+%s/^version = *\".*/version = \"${project_version}\"/"
      +x
      pyproject.toml
  - |
    ex -s pyproject.toml <<'EOF'
    /^long_description
    d2
    -1
    y
    pu
    s/description/long_description/
    x
    EOF
  - |
    cat <<EOF >>pyproject.toml
    icon = "${project_name_lowercase}/icon"

    [tool.briefcase.app.${project_name_lowercase}.linux]
    requires = [
    ]

    [tool.briefcase.app.${project_name_lowercase}.linux.system.debian]
    system_requires = [
    ]

    system_runtime_requires = [
        # Derived from https://doc.qt.io/qt-6/linux-requirements.html
        "libdbus-1-3",
        "libegl1",
        "libfontconfig1",
        "libgl1",
        "libglib2.0-0",
        "libice6",
        "libsm6",
        "libx11-xcb1",
        "libxcb-cursor0",
        "libxcb-icccm4",
        "libxcb-image0",
        "libxcb-keysyms1",
        "libxcb-randr0",
        "libxcb-shape0",
        "libxcb-sync1",
        "libxcb-xfixes0",
        "libxext6",
        "libxkbcommon-x11-0",
        "libxrender1",
    ]

    [tool.briefcase.app.${project_name_lowercase}.linux.system.rhel]
    system_requires = [
    ]

    system_runtime_requires = [
        # Derived from the Debian \`system_requires\` list
        "dbus-libs",
        "mesa-libEGL",
        "fontconfig",
        "mesa-libGL",
        "glib2",
        "libICE",
        "libSM",
        "libxcb",
        "xcb-util-cursor",
        "xcb-util-wm",
        "xcb-util-image",
        "xcb-util-keysyms",
        "libXext",
        "libxkbcommon-x11",
        "libXrender",
    ]

    [tool.briefcase.app.${project_name_lowercase}.linux.system.suse]
    system_requires = [
    ]

    system_runtime_requires = [
        # Derived from the Debian \`system_requires\` list
        "libdbus-1-3",
        "Mesa-libEGL1",
        "libfontconfig1",
        "Mesa-libGL1",
        "glib2",
        "libICE6",
        "libSM6",
        "libx11-xcb1",
        "libxcb-cursor0",
        "libxcb-icccm4",
        "libxcb-image0",
        "libxcb-keysyms1",
        "libxcb-randr0",
        "libxcb-shape0",
        "libxcb-sync1",
        "libxcb-xfixes0",
        "libXext6",
        "libxkbcommon-x11-0",
        "libXrender1",
    ]

    [tool.briefcase.app.${project_name_lowercase}.linux.system.arch]
    system_requires = [
    ]

    system_runtime_requires = [
        # Derived from the Debian \`system_requires\` list
        "dbus",
        "libglvnd",
        "fontconfig",
        "glib2",
        "libice",
        "libsm",
        "libx11",
        "xcb-util-cursor",
        "xcb-util-wm",
        "xcb-util-image",
        "xcb-util-keysyms",
        "libxcb",
        "libxext",
        "libxkbcommon",
        "libxrender",
    ]

    [tool.briefcase.app.${project_name_lowercase}.linux.flatpak]
    flatpak_runtime = "org.kde.Platform"
    flatpak_runtime_version = "6.7"
    flatpak_sdk = "org.kde.Sdk"

    [tool.briefcase.app.${project_name_lowercase}.macOS]
    universal_build = true
    requires = [
        "std-nslog~=1.0.3",
    ]

    [tool.briefcase.app.${project_name_lowercase}.windows]
    requires = [
    ]
    EOF
  artifacts:
    paths:
    - CHANGELOG
    - pyproject.toml
    - pymoldyn/icon-*.png


.package:debian:
  stage: package
  needs: ["pre-package"]
  variables:
    DEBIAN_FRONTEND: noninteractive
  before_script:
  - apt-get update
  - apt-get install -y
      build-essential
      git
      python3-dev
      python3-pip
      python3-venv
  - if ! apt-get install -y pipx; then
      python3 -m pip install pipx;
    fi
  - pipx install "briefcase==${BRIEFCASE_VERSION}"
  - export PATH="${HOME}/.local/bin:${PATH}"
  - python3 -m venv env
  script:
  # Install the project in editable mode to force to build all C extenions in-place. Otherwise, they won't be packaged
  # by briefcase
  - ./env/bin/python3 -m pip install -e .
  - briefcase create linux system
  - briefcase build linux system
  - briefcase package linux system
  artifacts:
    paths:
    - dist/*.deb


package:debian:11:
  extends: .package:debian
  image: debian:11


package:debian:12:
  extends: .package:debian
  image: debian:12


package:ubuntu:22.04:
  extends: .package:debian
  image: ubuntu:22.04


package:ubuntu:24.04:
  extends: .package:debian
  image: ubuntu:24.04


package:ubuntu:24.10:
  extends: .package:debian
  image: ubuntu:24.10


.package:rhel:
  stage: package
  needs: ["pre-package"]
  before_script:
  - dnf install -y
      gcc
      git
      make
      python3-devel
      rpm-build
  - python3 -m pip install pipx
  - pipx install "briefcase==${BRIEFCASE_VERSION}"
  - export PATH="${HOME}/.local/bin:${PATH}"
  - python3 -m venv env
  script:
  # Install the project in editable mode to force to build all C extenions in-place. Otherwise, they won't be packaged
  # by briefcase
  - ./env/bin/python3 -m pip install -e .
  - briefcase create linux system
  - briefcase build linux system
  - briefcase package linux system
  artifacts:
    paths:
    - dist/*.rpm


package:rockylinux:9:
  extends: .package:rhel
  image: rockylinux:9


package:fedora:41:
  extends: .package:rhel
  image: fedora:41


package:opensuse:tumbleweed:
  stage: package
  image: opensuse/tumbleweed
  before_script:
  - zypper install -y
      git
      patterns-devel-base-devel_basis
      python3-devel
      python3-pipx
      rpm-build
  - pipx install "briefcase==${BRIEFCASE_VERSION}"
  - export PATH="${HOME}/.local/bin:${PATH}"
  - python3 -m venv env
  script:
  # Install the project in editable mode to force to build all C extenions in-place. Otherwise, they won't be packaged
  # by briefcase
  - ./env/bin/python3 -m pip install -e .
  - briefcase create linux system
  - briefcase build linux system
  - briefcase package linux system
  artifacts:
    paths:
    - dist/*.rpm


package:flatpack:
  stage: package
  image: debian:12-gcc
  needs: ["pre-package"]
  tags:
  - libvirt
  before_script:
  - sudo apt-get update
  - sudo apt-get install -y
      build-essential
      flatpak
      flatpak-builder
      git
      pipx
      python3-dev
      python3-pip
      python3-venv
  - pipx install "briefcase==${BRIEFCASE_VERSION}"
  - export PATH="${HOME}/.local/bin:${PATH}"
  - python3 -m venv env
  script:
  # Install the project in editable mode to force to build all C extenions in-place. Otherwise, they won't be packaged
  # by briefcase
  - ./env/bin/python3 -m pip install -e .
  - briefcase create linux flatpak
  - briefcase build linux flatpak
  - briefcase package linux flatpak
  artifacts:
    paths:
    - dist/*.flatpak


package:macos:
  stage: package
  image: macos:sonoma-xcode
  variables:
    PYTHON_VERSION: "3.12.8"
  needs: ["pre-package"]
  tags:
  - utm
  before_script:
  - curl -fLO "https://www.python.org/ftp/python/${PYTHON_VERSION}/python-${PYTHON_VERSION}-macos11.pkg"
  - sudo installer -pkg "python-${PYTHON_VERSION}-macos11.pkg" -target /
  - python3 -m pip install -U
      certifi
      pipx
  - export SSL_CERT_FILE="$(python3 -m certifi)"
  - export PATH="${HOME}/.local/bin:/Library/Frameworks/Python.framework/Versions/${PYTHON_VERSION%.*}/bin:${PATH}"
  - pipx install "briefcase==${BRIEFCASE_VERSION}"
  - |
    cat <<'EOF' >create_icns.py
    #!/usr/bin/env -S pipx run

    # /// script
    # requires-python = ">=3.9"
    # dependencies = [
    #   "pillow",
    # ]
    # ///


    import os
    import subprocess
    import sys
    from tempfile import TemporaryDirectory

    from PIL import Image


    def create_iconset(icon_path, iconset_out_path):
        with TemporaryDirectory() as tmp_dir:
            tmp_icns_dir = os.path.join(tmp_dir, "icon.iconset")
            os.mkdir(tmp_icns_dir)
            original_icon = Image.open(icon_path)
            for name, size in (
                ("icon_{size}x{size}{suffix}.png".format(size=size, suffix=suffix), factor * size)
                for size in (16, 32, 128, 256, 512)
                for factor, suffix in ((1, ""), (2, "@2x"))
            ):
                resized_icon = original_icon.resize((size, size), Image.LANCZOS)
                resized_icon.save(os.path.join(tmp_icns_dir, name))
            subprocess.check_call(("iconutil", "--convert", "icns", tmp_icns_dir, "--output", iconset_out_path))


    def main():
        create_iconset(sys.argv[1], sys.argv[2])


    if __name__ == "__main__":
        main()
    EOF
  - chmod +x create_icns.py
  - ./create_icns.py pymoldyn/icon.png pymoldyn/icon.icns
  - GR_TEMPDIR="$(mktemp -d)"
  - python3 -m venv env
  - GR_STABLE_VERSION="$(
      git ls-remote --tags "https://github.com/sciapp/gr" |
      awk 'match($2, /refs\/tags\/v[0-9]+\.[0-9]+\.[0-9]+$/) { print substr($2, RSTART + length("refs/tags/v")) }' |
      sort -ruV |
      head -1
    )"
  - curl -fL "https://gr-framework.org/downloads/gr-${GR_STABLE_VERSION}-Darwin-universal.tar.gz" |
    tar -C "${GR_TEMPDIR}" -xzf -
  - export GRLIB="${GR_TEMPDIR}/gr/lib"
  script:
  # Install the project in editable mode to force to build all C extenions in-place. Otherwise, they won't be packaged
  # by briefcase
  - ./env/bin/python3 -m pip install -e .
  - briefcase create
  # Force to use the universal GR binaries for x86_64 and arm64
  - rsync -a "${GR_TEMPDIR}/gr/" --exclude "Applications"
    build/pymoldyn/macos/app/Pymoldyn.app/Contents/Resources/app_packages/gr/
  - briefcase build
  - briefcase package --adhoc-sign
  artifacts:
    paths:
    - dist/*.dmg


package:windows:
  stage: package
  image: windows:10-python3
  needs: ["pre-package"]
  tags:
  - libvirt
  variables:
    IMAGE_MAGICK_VERSION: "7.1.1-43"
  before_script:
  - vcvars_cmd python -m pip install briefcase
  - curl -fLO "https://imagemagick.org/archive/binaries/ImageMagick-${IMAGE_MAGICK_VERSION}-portable-Q8-x64.zip"
  - unzip "ImageMagick-${IMAGE_MAGICK_VERSION}-portable-Q8-x64.zip"
  - ./ImageMagick-${IMAGE_MAGICK_VERSION}-portable-Q8-x64/magick
      pymoldyn/icon.png
      -define "icon:auto-resize=16,32,48,64,128,256"
      pymoldyn/icon.ico
  - vcvars_cmd python -m venv env
  script:
  # Install the project in editable mode to force to build all C extenions in-place. Otherwise, they won't be packaged
  # by briefcase
  - ./env/Scripts/python -m pip install -e .
  - vcvars_cmd python -m briefcase create
  - vcvars_cmd python -m briefcase build
  - vcvars_cmd python -m briefcase package --adhoc-sign
  artifacts:
    paths:
    - dist/*.msi


deploy-to-github:
  stage: deploy
  image: python:3-slim
  variables:
    GIT_STRATEGY: none
  only:
  - master@Scientific-IT-Systems/pyMolDyn
  - develop@Scientific-IT-Systems/pyMolDyn
  - tags@Scientific-IT-Systems/pyMolDyn
  before_script:
  - apt-get update
  - apt-get install -y file git
  - mkdir --mode=700 ~/.ssh/
  - (umask 0377 && echo "${GITHUB_DEPLOY_KEY}" > ~/.ssh/id_rsa
                && echo "github.com ${GITHUB_HOST_KEY}" >> ~/.ssh/known_hosts)
  script:
  - git clone --mirror "${CI_REPOSITORY_URL}" "${CI_PROJECT_NAME}_mirror"
  - cd "${CI_PROJECT_NAME}_mirror";
    git push --mirror "git@github.com:sciapp/${CI_PROJECT_NAME}.git";
    cd ..
  - if echo "${CI_COMMIT_TAG}" | grep -Eq '^v[0-9]+\.[0-9]+\.[0-9]+$'; then
      pip install github-binary-upload;
      echo "${GITHUB_ACCESS_TOKEN}" |
        github-binary-upload --user IngoMeyer441 "sciapp/${CI_PROJECT_NAME}" "${CI_COMMIT_TAG}" dist/*;
    fi


deploy-to-pypi:
  stage: deploy
  image: python:3-slim
  only:
  - tags@Scientific-IT-Systems/pyMolDyn
  before_script:
  - pip install twine
  - echo "[distutils]"                    > ~/.pypirc;
    echo "index-servers ="               >> ~/.pypirc;
    echo "    pypi"                      >> ~/.pypirc;
    echo "[pypi]"                        >> ~/.pypirc;
    echo "username = __token__"          >> ~/.pypirc;
    echo "password = ${PYPI_DEPLOY_KEY}" >> ~/.pypirc;
  script:
  - twine upload dist/*.tar.gz dist/*.whl


deploy-to-aur:
  stage: deploy
  needs:
  - deploy-to-github
  image: archlinux:base-devel
  only:
  - tags@Scientific-IT-Systems/pyMolDyn
  before_script:
  - pacman -Syu --noconfirm
  - pacman -S --noconfirm --needed git openssh
  - useradd -m deploy
  - sudo -u deploy bash -c "
      git config --global user.name \"AUR updater\" &&
      git config --global user.email \"aur@updater.org\" &&
      mkdir --mode=700 ~/.ssh/ &&
      (
        umask 0377 &&
        echo \"$AUR_PRIVATE_KEY\" > ~/.ssh/id_rsa &&
        echo \"aur.archlinux.org $AUR_HOST_KEY\" >> ~/.ssh/known_hosts
      )
    "
  script:
  - sudo -u deploy bash -c "
      git clone \"ssh://aur@aur.archlinux.org/${CI_PROJECT_NAME,,}.git\" \"${CI_PROJECT_NAME}-aur\" &&
      cd \"${CI_PROJECT_NAME}-aur\" &&
      sed
        -i
        -e \"/^pkgver=/c\pkgver=\\\"${CI_COMMIT_TAG#v}\\\"\"
        -e \"/^pkgrel=/c\pkgrel=\\\"1\\\"\"
        PKGBUILD &&
      (
        source PKGBUILD;
        curl -o source -L \"\${source[0]}\";
        SHA256SUM=\"\$(sha256sum source | awk '{ print \$1 }')\";
        sed -i \"/^sha256sums=/c\sha256sums=(\\\"\${SHA256SUM}\\\")\" PKGBUILD;
      ) &&
      makepkg --printsrcinfo > .SRCINFO &&
      git commit -a -m \"Update to version ${CI_COMMIT_TAG#v}\" &&
      git push
    "