Ejemplo n.º 1
0
def build(container_format='singularity', os_release='ubuntu', os_version='20.04', gpu=True, cuda_version='11.0', desktop=True):
    config.set_container_format(container_format)
    if gpu:
        image = f'nvcr.io/nvidia/cuda:{cuda_version}-devel-{os_release}{os_version}'
    else:
        image = f'{os_release}:{os_version}'

    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={'maintainer': 'Luhan Cheng', 'email': '*****@*****.**'})
    stage0 += shell(commands=[
        'rm -f /bin/sh && ln -s /bin/bash /bin/sh',
        'rm -f /usr/bin/sh && ln -s /usr/bin/bash /usr/bin/sh',
        '/bin/bash',
    ])
    if gpu:
        stage0 += environment(variables=from_prefix('/usr/local/cuda'))
    stage0 += packages(apt=['wget', 'git', 'software-properties-common', 'build-essential', 'locales', 'zlib1g-dev'])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])
    if desktop:
        stage0 += comment('Installing vglrun and TurboVNC')
        stage0 += packages(apt=['ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5', 'pyqt5-dev', 'python3-tk'])
        stage0 += shell(commands=[
            'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
            'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
            'apt update',
            'apt -y upgrade'
        ])

    return stage0
Ejemplo n.º 2
0
def build(container_format='singularity',
          os_release='ubuntu',
          os_version='20.04'):
    config.set_container_format(container_format)

    image = f'{os_release}:{os_version}'

    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={
        'maintainer': 'Luhan Cheng',
        'email': '*****@*****.**'
    })
    stage0 += shell(commands=[
        'rm -f /bin/sh && ln -s /bin/bash /bin/sh',
        'rm -f /usr/bin/sh && ln -s /usr/bin/bash /usr/bin/sh',
        '/bin/bash',
    ])

    stage0 += packages(apt=[
        'wget', 'git', 'software-properties-common', 'build-essential',
        'locales', 'zlib1g-dev'
    ])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])

    stage0 += comment('Installing vglrun and TurboVNC')
    stage0 += packages(apt=[
        'ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5',
        'pyqt5-dev', 'python3-tk'
    ])
    stage0 += shell(commands=[
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
        'apt update', 'apt -y upgrade'
    ])

    # coin3d
    stage0 += packages(apt=[
        'mesa-common-dev', 'libglu1-mesa-dev', 'freeglut3-dev', 'autoconf',
        'autogen', 'doxygen'
    ])
    compiler = gnu(version="10")
    stage0 += compiler
    stage0 += boost()
    stage0 += generic_cmake(
        repository="https://github.com/coin3d/coin",
        recursive=True,
        cmake_opts=[
            '-G "Unix Makefiles"', "-DCMAKE_BUILD_TYPE=Release",
            "-DCOIN_BUILD_DOCUMENTATION=OFF",
            "-DCMAKE_INSTALL_PREFIX=/usr/local/coin3d"
        ],
        postinstall=['cd cpack.d', 'cpack --config debian.cmake'])

    return stage0
Ejemplo n.º 3
0
def build(container_format='singularity',
          os_release='ubuntu',
          os_version='20.04',
          cuda_version='11.0'):
    config.set_container_format(container_format)
    image = f'nvcr.io/nvidia/cuda:{cuda_version}-devel-{os_release}{os_version}'

    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={
        'maintainer': 'Luhan Cheng',
        'email': '*****@*****.**'
    })
    stage0 += shell(commands=[
        'rm -f /bin/sh && ln -s /bin/bash /bin/sh',
        'rm -f /usr/bin/sh && ln -s /usr/bin/bash /usr/bin/sh',
        '/bin/bash',
    ])

    stage0 += environment(variables=from_prefix('/usr/local/cuda'))
    stage0 += packages(apt=[
        'wget', 'git', 'software-properties-common', 'build-essential',
        'locales', 'zlib1g-dev'
    ])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])
    stage0 += comment('Installing vglrun and TurboVNC')
    stage0 += packages(apt=[
        'ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5',
        'pyqt5-dev', 'python3-tk'
    ])
    stage0 += shell(commands=[
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
        'apt update', 'apt -y upgrade'
    ])
    stage0 += packages(apt=[
        "qt5-qmake", 'qtmultimedia5-dev', 'libqt5multimediawidgets5',
        'libqt5multimedia5-plugins', 'libqt5multimedia5', 'libglew-dev',
        'glew-utils', 'libqglviewer-dev-qt5', 'libnetcdf-dev',
        'libnetcdf-cxx-legacy-dev', 'freeglut3-dev', 'libassimp-dev'
    ])
    stage0 += shell(commands=[
        'mkdir -p /opt/', "cd /opt",
        'git clone --branch v-2.7linux https://github.com/nci/drishti.git',
        'cd drishti/drishti', 'qmake -qt=5',
        'export LDFLAGS="$LDFLAGS -L/usr/lib/x86_64-linux-gnu/ -lassimp"',
        'ln -s /usr/lib/x86_64-linux-gnu/libQGLViewer-qt5.so /usr/lib/x86_64-linux-gnu/libQGLViewer.so',
        'make'
    ])

    return stage0
Ejemplo n.º 4
0
def build(container_format='singularity',
          os_release='ubuntu',
          os_version='20.04'):
    config.set_container_format(container_format)

    image = f'{os_release}:{os_version}'

    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={
        'maintainer': 'Luhan Cheng',
        'email': '*****@*****.**'
    })
    stage0 += shell(commands=[
        'rm -f /bin/sh && ln -s /bin/bash /bin/sh',
        'rm -f /usr/bin/sh && ln -s /usr/bin/bash /usr/bin/sh', '/bin/bash',
        'ln -s /usr/lib/x86_64-linux-gnu/libffi.so.7 /usr/lib/x86_64-linux-gnu/libffi.so.6'
    ])
    stage0 += packages(apt=[
        'wget', 'git', 'software-properties-common', 'build-essential',
        'locales', 'zlib1g-dev'
    ])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])
    stage0 += comment('Installing vglrun and TurboVNC')
    stage0 += packages(apt=[
        'ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5',
        'pyqt5-dev', 'python3-tk'
    ])
    stage0 += shell(commands=[
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
        'apt update', 'apt -y upgrade'
    ])

    stage0 += primitives.copy(src='./ChimeraX-1.2.5.tar.gz',
                              dest='/opt/ChimeraX-1.2.5.tar.gz')
    stage0 += shell(commands=[
        'tar xfv /opt/ChimeraX-1.2.5.tar.gz -C /opt',
        'rm /opt/ChimeraX-1.2.5.tar.gz'
    ])
    stage0 += environment(
        variables=from_prefix('/opt/chimerax-1.2.5-rc-2021.05.24'))

    return stage0
def build(container_format='singularity', os_release='ubuntu', os_version='20.04'):
    config.set_container_format(container_format)

    image = f'{os_release}:{os_version}'

    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={'maintainer': 'Luhan Cheng', 'email': '*****@*****.**'})
    stage0 += shell(commands=[
        'rm -f /bin/sh && ln -s /bin/bash /bin/sh',
        'rm -f /usr/bin/sh && ln -s /usr/bin/bash /usr/bin/sh',
        '/bin/bash',
    ])

    stage0 += packages(apt=['wget', 'git', 'software-properties-common', 'build-essential', 'locales', 'zlib1g-dev', 'bc', 'cmake',
                            'bison', 'flex', 'libx11-dev', 'x11proto-core-dev', 'libxi6', 'libxi-dev', 'libxmu6', 'libxmu-dev',
                            'libxmu-headers', 'libgl1-mesa-dev', 'libglu1-mesa-dev', 'libjpeg-dev', 'libevent-dev', 'libncurses-dev',
                            'pkg-config', 'libopenblas-dev'])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])

    stage0 += comment('Installing vglrun and TurboVNC')
    stage0 += packages(apt=['ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5', 'pyqt5-dev', 'python3-tk'])
    stage0 += shell(commands=[
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
        'apt update',
        'apt -y upgrade'
    ])
    stage0 += generic_cmake(
        repository='https://github.com/BIC-MNI/minc-toolkit-v2.git',
        branch='release-1.9.18.1',
        recursive=True,
        prefix='/opt/minc/1.9.18',
        preconfigure=['sed -i -e \'s/http\:\/\/mirrors\.ibiblio\.org\/gnu\/ftp\/gnu\/gsl/http\:\/\/ftp\.\sun\.ac\.za\/ftp\/pub\/mirrors\/ftp\.gnu\.org\/gsl/g\' cmake-modules/BuildGSL.cmake', ],
        cmake_opts=['-DCMAKE_BUILD_TYPE:STRING=Release', '-DCMAKE_INSTALL_PREFIX:PATH=/opt/minc/1.9.18', '-DMT_BUILD_ABC:BOOL=ON',
                    '-DMT_BUILD_ANTS:BOOL=ON', '-DMT_BUILD_C3D:BOOL=ON', '-DMT_BUILD_ELASTIX:BOOL=ON', '-DMT_BUILD_IM:BOOL=OFF',
                    '-DMT_BUILD_ITK_TOOLS:BOOL=ON', '-DMT_BUILD_LITE:BOOL=OFF', '-DMT_BUILD_SHARED_LIBS:BOOL=ON', '-DMT_BUILD_VISUAL_TOOLS:BOOL=ON',
                    '-DMT_USE_OPENMP:BOOL=ON', '-DUSE_SYSTEM_FFTW3D:BOOL=OFF', '-DUSE_SYSTEM_FFTW3F:BOOL=OFF', '-DUSE_SYSTEM_GLUT:BOOL=OFF',
                    '-DUSE_SYSTEM_GSL:BOOL=OFF', '-DUSE_SYSTEM_HDF5:BOOL=OFF', '-DUSE_SYSTEM_ITK:BOOL=OFF', '-DUSE_SYSTEM_NETCDF:BOOL=OFF',
                    '-DUSE_SYSTEM_NIFTI:BOOL=OFF', '-DUSE_SYSTEM_PCRE:BOOL=OFF', '-DUSE_SYSTEM_ZLIB:BOOL=OFF']
    )
    stage0 += environment(variables=from_prefix('/opt/minc/1.9.18.1'))
    return stage0
Ejemplo n.º 6
0
def build(container_format='singularity',
          os_release='ubuntu',
          os_version='20.04'):
    config.set_container_format(container_format)
    image = f'{os_release}:{os_version}'

    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={
        'maintainer': 'Luhan Cheng',
        'email': '*****@*****.**'
    })
    stage0 += shell(commands=[
        'rm -f /bin/sh && ln -s /bin/bash /bin/sh',
        'rm -f /usr/bin/sh && ln -s /usr/bin/bash /usr/bin/sh',
        '/bin/bash',
    ])

    stage0 += packages(apt=[
        'wget', 'git', 'software-properties-common', 'build-essential',
        'locales', 'zlib1g-dev'
    ])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])

    stage0 += comment('Installing vglrun and TurboVNC')
    stage0 += packages(apt=[
        'ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5',
        'pyqt5-dev', 'python3-tk', 'cmake', 'libgtk2.0-dev', 'libasound2-dev',
        'libavformat-dev', 'libjack-jackd2-dev', 'uuid-dev'
    ])
    stage0 += shell(commands=[
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
        'apt update', 'apt -y upgrade'
    ])
    stage0 += shell(commands=['pip install conan'])
    stage0 += generic_cmake(repository='https://github.com/audacity/audacity/',
                            branch='Audacity-3.0.5')

    return stage0
Ejemplo n.º 7
0
def build(container_format='singularity', os_release='ubuntu', os_version='20.04'):
    config.set_container_format(container_format)

    image = f'{os_release}:{os_version}'

    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={'maintainer': 'Luhan Cheng', 'email': '*****@*****.**'})
    stage0 += shell(commands=['rm /usr/bin/sh', 'ln -s /usr/bin/bash /usr/bin/sh', '/usr/bin/bash'])
    stage0 += packages(apt=['wget', 'git', 'software-properties-common', 'build-essential', 'locales', 'zlib1g-dev'])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])

    stage0 += comment('Installing vglrun and TurboVNC')
    stage0 += packages(apt=['ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5', 'pyqt5-dev', 'python3-tk'])
    stage0 += shell(commands=[
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
        'apt update',
        'apt -y upgrade'
    ])
    stage0 += shell(commands=[
        'curl -sL https://deb.nodesource.com/setup_12.x | bash -',
        'apt install -y nodejs npm'
    ])
    prefix = '/var/www'
    stage0 += shell(commands=[
        f'mkdir {prefix} && cd {prefix}',
        'git clone --branch 1.16.10-release https://github.com/gmod/jbrowse .',
        './setup.sh',
    ])
    stage0 += environment(variables={
        'PATH': f'{prefix}/bin:$PATH'
    })
    stage0 += runscript(commands=[
        f'cd {prefix}',
        'npm run start $*'
    ])

    return stage0
Ejemplo n.º 8
0
def build(container_format='singularity', os_release='ubuntu', os_version='20.04', cuda_version='11.0'):
    config.set_container_format(container_format)
    image = f'{os_release}:{os_version}'
    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={'maintainer': 'Luhan Cheng', 'email': '*****@*****.**'})
    stage0 += shell(commands=['rm /usr/bin/sh', 'ln -s /usr/bin/bash /usr/bin/sh', '/usr/bin/bash'])

    stage0 += packages(apt=['wget', 'git', 'software-properties-common', 'build-essential', 'locales'])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])

    stage0 += comment('Installing vglrun and TurboVNC')
    stage0 += packages(apt=['ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5', 'pyqt5-dev', 'python3-tk'])
    stage0 += shell(commands=[
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
        'apt update',
        'apt -y upgrade'
    ])

    stage0 += conda(
        eula=True,
        packages=['python=3.8.5', 'openjdk', 'pip'],
    )
    stage0 += environment(variables=from_prefix('/usr/local/anaconda'))
    stage0 += shell(commands=['pip install --upgrade minerl'])
    stage0 += shell(commands=[
        'wget https://launcher.mojang.com/download/Minecraft.deb && dpkg -i Minecraft.deb && rm Minecraft.deb',
    ])

    stage0 += runscript(commands=['source /usr/local/anaconda/etc/profile.d/conda.sh', '/usr/local/anaconda/bin/python3 $*'])



    return stage0
Ejemplo n.º 9
0
def build(container_format='singularity',
          os_release='ubuntu',
          os_version='20.04',
          cuda_version='11.0.3'):
    config.set_container_format(container_format)

    # image = f'{os_release}:{os_version}'
    image = f'nvcr.io/nvidia/cuda:{cuda_version}-devel-{os_release}{os_version}'

    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={
        'maintainer': 'Luhan Cheng',
        'email': '*****@*****.**'
    })
    stage0 += shell(commands=[
        'rm -f /bin/sh && ln -s /bin/bash /bin/sh',
        'rm -f /usr/bin/sh && ln -s /usr/bin/bash /usr/bin/sh',
        '/bin/bash',
    ])

    stage0 += packages(apt=[
        'wget', 'git', 'software-properties-common', 'build-essential',
        'locales', 'zlib1g-dev'
    ])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])

    stage0 += packages(apt=[
        'freeglut3-dev', 'build-essential', 'libx11-dev', 'libxmu-dev',
        'libxi-dev', 'libglu1-mesa', 'libglu1-mesa-dev', 'mesa-utils',
        'libgl1-mesa-glx'
    ])
    stage0 += environment(variables=from_prefix('/usr/local/cuda'))

    stage0 += comment('Installing vglrun and TurboVNC')
    stage0 += packages(apt=[
        'ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5',
        'pyqt5-dev', 'python3-tk'
    ])
    stage0 += shell(commands=[
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
        'apt update', 'apt -y upgrade'
    ])

    stage0 += packages(apt=[
        'make', 'libopenmpi-dev', 'python3-tk', 'libfftw3-dev', 'libhdf5-dev',
        'libtiff-dev', 'libjpeg-dev', 'libsqlite3-dev', 'openjdk-8-jdk'
    ])
    stage0 += environment(
        variables={
            'LD_LIBRARY_PATH':
            "$LD_LIBRARY_PATH:/usr/lib/x86_64-linux-gnu/hdf5/serial",
        })
    prefix = '/usr/local/scipion'

    stage0 += shell(commands=[
        'python3 -m pip install --user scipion-installer',
        f'python3 -m scipioninstaller {prefix} -j 4'
    ])
    stage0 += environment(variables=from_prefix(prefix))
    return stage0
Ejemplo n.º 10
0
def build(container_format='singularity',
          openmpi_version='2.0.4',
          gnu_version='10',
          cfdem_prefix='/usr/local/cfdem',
          cfdem_version='3.8.0',
          liggghts_prefix='/usr/local/ligghts',
          lpp_prefix='/usr/local/lpp',
          image='ubuntu:20.04',
          mlton_version='on-20210117-release',
          gmp_version='6.2.1'):

    config.set_container_format(container_format)
    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += label(metadata={
        'maintainer': 'Luhan Cheng',
        'email': '*****@*****.**'
    })
    stage0 += shell(commands=[
        'rm /usr/bin/sh', 'ln -s /usr/bin/bash /usr/bin/sh', '/usr/bin/bash'
    ])
    stage0 += packages(apt=[
        'locales', 'wget', 'software-properties-common', 'git',
        'build-essential', 'flex', 'bison', 'cmake', 'zlib1g-dev', 'gnuplot',
        'libreadline-dev', 'libncurses-dev', 'libxt-dev', 'libscotch-dev',
        'libptscotch-dev', 'libvtk6-dev', 'python-numpy', 'python-dev',
        'qt5-default', 'git-core', 'libboost-system-dev',
        'libboost-thread-dev', 'libqt5x11extras5-dev', 'qttools5-dev', 'curl',
        'libgl1-mesa-dev', 'libosmesa6-dev', 'libssh2-1', 'libtool'
    ])
    compilers = gnu(version=gnu_version)
    stage0 += compilers
    openmpi_building_block = openmpi(version=openmpi_version,
                                     toolchain=compilers.toolchain,
                                     cuda=False)
    stage0 += openmpi_building_block

    stage0 += generic_autotools(
        url=f'https://gmplib.org/download/gmp/gmp-{gmp_version}.tar.xz',
        prefix='/usr/local/gmp',
        directory=f'gmp-{gmp_version}/',
    )
    stage0 += environment(variables=from_library('/usr/local/gmp'))

    stage0 += generic_build(repository='https://github.com/MLton/mlton.git',
                            branch=mlton_version,
                            build=['make -j'],
                            install=['make PREFIX=/usr/local/mlton'])

    if cfdem_version == '3.8.0':
        OF_release = '5.x'
        OF_commitHashtag = '538044ac05c4672b37c7df607dca1116fa88df88'
    else:
        raise Exception(
            'Check https://github.com/CFDEMproject/CFDEMcoupling-PUBLIC/blob/master/src/lagrangian/cfdemParticle/cfdTools/versionInfo.H'
        )
    stage0 += comment('Obtain CFDEM source')
    stage0 += shell(commands=[
        f'mkdir -p {cfdem_prefix} {liggghts_prefix} {lpp_prefix}',
        f'git clone --branch {cfdem_version} https://github.com/CFDEMproject/CFDEMcoupling-PUBLIC.git {cfdem_prefix}',
        f'git clone --branch {cfdem_version} https://github.com/CFDEMproject/LIGGGHTS-PUBLIC.git {liggghts_prefix}',
        f'git clone https://github.com/CFDEMproject/LPP.git {lpp_prefix}'
    ])

    stage0 += comment('Install OpenFoam')
    openfoam_prefix = f'/usr/local/OpenFOAM-{OF_release}'
    thirdparty_prefix = f'/usr/local/ThirdParty-{OF_release}'
    stage0 += shell(commands=[
        f'mkdir -p {openfoam_prefix} {thirdparty_prefix}',
        f'git clone https://github.com/OpenFOAM/OpenFOAM-{OF_release}.git {openfoam_prefix} && cd {openfoam_prefix} && git checkout {OF_commitHashtag}',
        f'git clone https://github.com/OpenFOAM/ThirdParty-{OF_release}.git {thirdparty_prefix}',
    ])
    stage0 += shell(commands=[
        f'echo "source {openfoam_prefix}/etc/bashrc" >> ~/.bashrc',
    ])
    # DLIB_PATH = '/usr/lib/x86_64-linux-gnu'
    # INCLUDE_PATH = '/usr/include'

    stage0 += shell_with_log(commands=[
        f'{thirdparty_prefix}/Allwmake -j',  # this breaks with openmpi >= 3,  error: static assertion failed: "MPI_Type_extent was removed in MPI-3.0.  Use MPI_Type_get_extent instead."
        # f'{thirdparty_prefix}/makeParaView -mpi -mesa -mesa-lib {DLIB_PATH}/libOSMesa.so -mesa-include {INCLUDE_PATH}/GL -verbose',
        f'{thirdparty_prefix}/makeParaView -mpi'
        'wmRefresh'
    ])
    stage0 += shell(commands=[
        f'{openfoam_prefix}/Allwmake -j',
    ])

    # /usr/bin/g++ -fPIC    -O3 -DNDEBUG  -Wl,--no-undefined -lc    -shared -Wl,-soname,libvtkCommonSystem-pv5.4.so.1 -o ../../../lib/libvtkCommonSystem-pv5.4.so.1 CMakeFiles/vtkCommonSystem.dir/vtkClientSocket.cxx.o CMakeFiles/vtkCommonSystem.dir/vtkDirectory.cxx.o CMakeFiles/vtkCommonSystem.dir/vtkServerSocket.cxx.o CMakeFiles/vtkCommonSystem.dir/vtkSocket.cxx.o CMakeFiles/vtkCommonSystem.dir/vtkSocketCollection.cxx.o CMakeFiles/vtkCommonSystem.dir/vtkThreadMessager.cxx.o CMakeFiles/vtkCommonSystem.dir/vtkTimerLog.cxx.o  -Wl,-rpath,/usr/local/ThirdParty-5.x/build/linux64Gcc/ParaView-5.4.0/lib: ../../../lib/libvtkCommonCore-pv5.4.so.1 ../../../lib/libvtksys-pv5.4.so.1 -lpthread -ldl

    return stage0
Ejemplo n.º 11
0
def build(container_format='singularity',
          os_release='ubuntu',
          os_version='20.04',
          cuda_version='11.0'):
    config.set_container_format(container_format)
    image = f'nvcr.io/nvidia/cuda:{cuda_version}-devel-{os_release}{os_version}'

    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += environment(variables={
        'LC_ALL': 'en_AU.UTF-8',
        'LANGUAGE': 'en_AU.UTF-8',
    })
    stage0 += label(metadata={
        'maintainer': 'Luhan Cheng',
        'email': '*****@*****.**'
    })
    stage0 += shell(commands=[
        'rm -f /bin/sh && ln -s /bin/bash /bin/sh',
        'rm -f /usr/bin/sh && ln -s /usr/bin/bash /usr/bin/sh',
        '/bin/bash',
    ])

    stage0 += environment(variables=from_prefix('/usr/local/cuda'))
    stage0 += packages(apt=[
        'wget', 'git', 'software-properties-common', 'build-essential',
        'locales', 'zlib1g-dev'
    ])
    stage0 += shell(commands=['locale-gen en_AU.UTF-8'])

    stage0 += comment('Installing vglrun and TurboVNC')
    stage0 += packages(apt=[
        'ubuntu-desktop', 'vim', 'mesa-utils', 'python3-pip', 'python3-pyqt5',
        'pyqt5-dev', 'python3-tk'
    ])
    stage0 += shell(commands=[
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/turbovnc_2.2.5_amd64.deb && dpkg -i turbovnc_2.2.5_amd64.deb && rm turbovnc_2.2.5_amd64.deb',
        'wget https://swift.rc.nectar.org.au/v1/AUTH_810/CVL-Singularity-External-Files/virtualgl_2.6.4_amd64.deb && dpkg -i virtualgl_2.6.4_amd64.deb && rm virtualgl_2.6.4_amd64.deb',
        'apt update', 'apt -y upgrade'
    ])

    stage0 += comment('Installing pre-requisites')
    stage0 += primitives.copy(
        src="./ccp4-7.1.014-shelx-arpwarp-linux64.tar.gz",
        dest="/opt/ccp4-7.1.014-shelx-arpwarp-linux64.tar.gz")
    stage0 += shell(commands=[
        'cd /opt && tar -xf ccp4-7.1.014-shelx-arpwarp-linux64.tar.gz && rm ccp4-7.1.014-shelx-arpwarp-linux64.tar.gz',
        'touch $HOME/.agree2ccp4v6',
        'cd ccp4-7.1',
        './BINARY.setup',
    ])
    stage0 += environment(variables=add_binary('/opt/ccp4-7.1/bin'))

    stage0 += comment('Installing CCP-EM')
    stage0 += primitives.copy(src="./ccpem-1.5.0-linux-x86_64.tar.gz",
                              dest="/opt/ccpem-1.5.0-linux-x86_64.tar.gz")
    stage0 += primitives.copy(src="./input.txt", dest="/opt/input.txt")
    stage0 += shell(commands=[
        'touch $HOME/.agree2ccpemv1',
        'cd /opt && tar -xf ccpem-1.5.0-linux-x86_64.tar.gz && rm ccpem-1.5.0-linux-x86_64.tar.gz',
        'cd ccpem-1.5.0', './install_ccpem.sh',
        'cat /opt/input.txt | bash install_modeller.sh'
    ])

    return stage0
Ejemplo n.º 12
0
def build(container_format='singularity',
          os='ubuntu20.04',
          cuda_version='11.0',
          gpu_version='V100',
          mkl_version='2020.0-088',
          version='psmp',
          tag='8.1.0'):
    image = f'nvcr.io/nvidia/cuda:{cuda_version}-devel-{os}'
    config.set_container_format(container_format)
    stage0 = Stage(name='stage0')
    stage0 += baseimage(image=image, _bootstrap='docker')
    stage0 += label(metadata={
        'maintainer': 'Luhan Cheng',
        'email': '*****@*****.**'
    })
    stage0 += comment(
        'Toolchain installation translated from https://github.com/cp2k/cp2k/blob/master/tools/toolchain/Dockerfile.cuda_mkl'
    )

    stage0 += packages(apt=[
        'git', 'gfortran', 'mpich', 'libmpich-dev',
        'software-properties-common', 'python-dev'
    ])
    stage0 += python()
    stage0 += shell(commands=[
        f'git clone --depth 1 --branch v{tag} https://github.com/cp2k/cp2k.git /cp2k',
        'cd /cp2k', 'git submodule update --init --recursive'
    ])
    stage0 += shell(
        commands=['/cp2k/tools/toolchain/install_requirements_ubuntu.sh'])
    stage0 += environment(
        variables={
            'CUDA_PATH': '/usr/local/cuda',
            'LD_LIBRARY_PATH': '/usr/local/cuda/:${LD_LIBRARY_PATH}',
            'MKLROOT': '/opt/intel/compilers_and_libraries/linux/mkl',
            **from_prefix('/usr/local/cuda')
        })
    stage0 += mkl(eula=True, version=mkl_version)
    stage0 += workdir(directory='/opt/cp2k-toolchain')
    stage0 += shell(commands=[
        'cd /opt/cp2k-toolchain',
        'mkdir scripts && cp -r /cp2k/tools/toolchain/scripts/* ./scripts/',
        'cp /cp2k/tools/toolchain/install_cp2k_toolchain.sh .',
    ])
    stage0 += shell(commands=[
        'cd /opt/cp2k-toolchain',
        f'./install_cp2k_toolchain.sh --mpi-mode=openmpi --math-mode=mkl --with-reflapack=no --with-scalapack=no --with-elpa=no --gpu-ver={gpu_version}',
        'rm -rf ./build'
    ])
    stage0 += shell(commands=[
        'cp /opt/cp2k-toolchain/install/arch/* /cp2k/arch/', 'cd /cp2k',
        "sed  's/source /. /g' /opt/cp2k-toolchain/install/setup > /opt/cp2k-toolchain/install/setup ",
        '. /opt/cp2k-toolchain/install/setup',
        f'make ARCH=local VERSION="{version}" | tee /var/tmp/log.txt'
    ])
    stage0 += environment(variables={'PATH': '/cp2k/exe/local:$PATH'})
    stage0 += shell(commands=[
        'ln -s /usr/lib/x86_64-linux-gnu/libncursesw.so.6 /usr/lib/x86_64-linux-gnu/libncursesw.so.5',
        'ln -s /usr/lib/x86_64-linux-gnu/libtinfo.so.6 /usr/lib/x86_64-linux-gnu/libtinfo.so.5'
    ])
    stage0 += environment(
        variables={
            'LD_LIBRARY_PATH': '/usr/lib/x86_64-linux-gnu/:$LD_LIBRARY_PATH'
        })
    return stage0
Ejemplo n.º 13
0
def main():  # pragma: no cover
    cli = Cli_Args()
    args = cli.parse_args()

    if args.deploy != '':
        args.build = True
        args.convert = True

    cwd = os.getcwd()

    c = list(
        itertools.product(args.format, args.ogs, args.pm, args.ompi,
                          args.cmake_args))
    if not args.print and not args.cleanup:
        print('Creating {} image definition(s)...'.format(len(c)))
    for build in c:
        __format = build[0]
        ogs_version = build[1]
        ogscm.config.set_package_manager(build[2])
        ompi = build[3]
        cmake_args = build[4].strip().split(' ')

        # args checking
        if len(c) > 1 and args.file != '':
            print(
                '--file can only be used when generating a single image definition'
            )
            quit(1)
        if (len(c) > 1 and args.sif_file != '') or (args.sif_file != ''
                                                    and args.convert == False):
            print('--sif_file can only be used when generating a single image '
                  'definition and --convert is given')
            quit(1)
        if (ogs_version == 'off' or ogs_version
                == 'clean') and len(cmake_args) > 0 and cmake_args[0] != '':
            cmake_args = []
            print('--cmake_args cannot be used with --ogs off! Ignoring!')
        if __format == 'singularity':
            if args.runtime_only:
                args.runtime_only = False
                print(
                    '--runtime-only cannot be used with --format singularity! '
                    'Ignoring!')
            if args.upload:
                print('--upload cannot be used with --format singularity! '
                      'Ignoring!')
            if args.convert:
                print('--convert cannot be used with --format singularity! '
                      'Ignoring!')

        info = container_info(build, args)
        if args.cleanup:
            info.cleanup()
            exit(0)
        info.make_dirs()

        if ompi != 'off':
            if args.base_image == 'ubuntu:20.04':
                args.base_image = 'centos:8'
                print(
                    'Setting base_image to \'centos:8\'. OpenMPI is supported on CentOS only.'
                )

        # Create definition
        hpccm.config.set_container_format(__format)

        # ------------------------------ recipe -------------------------------
        Stage0 = hpccm.Stage()
        Stage0 += raw(docker='# syntax=docker/dockerfile:experimental')

        if args.runtime_only:
            Stage0.name = 'build'
        Stage0 += baseimage(image=args.base_image, _as='build')

        Stage0 += comment(f"Generated with ogs-container-maker {__version__}",
                          reformat=False)

        Stage0 += packages(ospackages=['wget', 'tar', 'curl', 'make'])

        # base compiler
        if args.compiler != 'off':
            if args.compiler_version == '':
                if args.compiler == 'clang':
                    args.compiler_version = '8'
                else:
                    if hpccm.config.g_linux_distro == linux_distro.CENTOS:
                        args.compiler_version = '10'  # required for std::filesystem
                    else:
                        args.compiler_version = None  # Use default
            if args.compiler == 'clang':
                compiler = llvm(extra_repository=True,
                                extra_tools=True,
                                version=args.compiler_version)
            else:
                compiler = gnu(fortran=False,
                               extra_repository=True,
                               version=args.compiler_version)
            toolchain = compiler.toolchain
            Stage0 += compiler
            # Upgrade stdc++ lib after installing new compiler
            # https://stackoverflow.com/a/46613656/80480
            if args.compiler == 'gcc' and args.compiler_version is not None:
                Stage0 += packages(apt=['libstdc++6'])

        # Prepare runtime stage
        Stage1 = hpccm.Stage()
        Stage1.baseimage(image=args.base_image)

        # Install scif in all stages
        Stage0 += pip(packages=['scif'], pip='pip3')
        Stage1 += pip(packages=['scif'], pip='pip3')

        if ompi != 'off':
            mpicc = object
            if False:  # eve:
                # Stage0 += ofed() OR mlnx_ofed(); is installed later on from debian archive
                # Stage0 += knem()
                Stage0 += ucx(version='1.5.1',
                              cuda=False)  # knem='/usr/local/knem'
                Stage0 += packages(ospackages=['libpmi2-0-dev'
                                               ])  # req. for --with-pmi
                # req. for --with-psm2
                Stage0 += packages(ospackages=['libnuma1'])
                psm_deb_url = 'http://snapshot.debian.org/archive/debian/20181231T220010Z/pool/main'
                psm2_version = '11.2.68-4'
                Stage0 += shell(commands=[
                    'cd /tmp',
                    f'wget -nv {psm_deb_url}/libp/libpsm2/libpsm2-2_{psm2_version}_amd64.deb',
                    f'wget -nv {psm_deb_url}/libp/libpsm2/libpsm2-dev_{psm2_version}_amd64.deb',
                    'dpkg --install *.deb'
                ])

                # libibverbs
                # Available versions: http://snapshot.debian.org/binary/ibacm/
                # ibverbs_version = '21.0-1'
                # works on eve, eve has 17.2-3 installed nut this version is not available in snapshot.debian
                ib_deb_url = 'http://snapshot.debian.org/archive/debian/20180430T215634Z/pool/main'
                ibverbs_version = '17.1-2'
                ibverbs_packages = [
                    'ibacm', 'ibverbs-providers', 'ibverbs-utils',
                    'libibumad-dev', 'libibumad3', 'libibverbs-dev',
                    'libibverbs1', 'librdmacm-dev', 'librdmacm1', 'rdma-core',
                    'rdmacm-utils'
                ]
                ibverbs_cmds = ['cd /tmp']
                for package in ibverbs_packages:
                    ibverbs_cmds.extend([
                        f'wget -nv {ib_deb_url}/r/rdma-core/{package}_{ibverbs_version}_amd64.deb'
                    ])
                ibverbs_cmds.append('dpkg --install *.deb')
                Stage0 += packages(ospackages=[
                    'libnl-3-200', 'libnl-route-3-200', 'libnl-route-3-dev',
                    'udev', 'perl'
                ])
                Stage0 += shell(commands=ibverbs_cmds)

                mpicc = openmpi(
                    version=ompi,
                    cuda=False,
                    toolchain=toolchain,
                    ldconfig=True,
                    ucx='/usr/local/ucx',
                    configure_opts=[
                        '--disable-getpwuid',
                        '--sysconfdir=/mnt/0',
                        '--with-slurm',  # used on taurus
                        '--with-pmi=/usr/include/slurm-wlm',
                        'CPPFLAGS=\'-I /usr/include/slurm-wlm\'',
                        '--with-pmi-libdir=/usr/lib/x86_64-linux-gnu',
                        # '--with-pmix',
                        '--with-psm2',
                        '--disable-pty-support',
                        '--enable-mca-no-build=btl-openib,plm-slurm',
                        # eve:
                        '--with-sge',
                        '--enable-mpirun-prefix-by-default',
                        '--enable-orterun-prefix-by-default',
                    ])
            else:
                ucx_version = '1.8.1'
                Stage0 += ucx(version=ucx_version, cuda=False)
                Stage0 += slurm_pmi2(version='17.02.11')
                pmix_version = True
                if version.parse(ompi) >= version.parse('4'):
                    Stage0 += pmix(version='3.1.5')
                    pmix_version = '/usr/local/pmix'

                mpicc = openmpi(version=ompi,
                                cuda=False,
                                infiniband=False,
                                pmi='/usr/local/slurm-pmi2',
                                pmix=pmix_version,
                                ucx='/usr/local/ucx')

            toolchain = mpicc.toolchain
            Stage0 += mpicc
            # OpenMPI expects this program to exist, even if it's not used.
            # Default is "ssh : rsh", but that's not installed.
            Stage0 += shell(commands=[
                'mkdir /mnt/0',
                "echo 'plm_rsh_agent = false' >> /mnt/0/openmpi-mca-params.conf"
            ])

            Stage0 += label(
                metadata={
                    'org.opengeosys.mpi': 'openmpi',
                    'org.opengeosys.mpi.version': ompi
                })

            if args.mpi_benchmarks:
                # osu_app = scif(name='osu', file=f"{info.out_dir}/osu.scif")
                Stage0 += osu_benchmarks(toolchain=toolchain)
                Stage0 += shell(commands=[
                    'mkdir -p /usr/local/mpi-examples',
                    'cd /usr/local/mpi-examples',
                    'curl -O https://raw.githubusercontent.com/hpc/charliecloud/674b3b4e4ad243be5565f200d8f5fb92b7544480/examples/mpihello/hello.c',
                    'curl -O https://computing.llnl.gov/tutorials/mpi/samples/C/mpi_bandwidth.c',
                    'curl -O https://raw.githubusercontent.com/mpitutorial/mpitutorial/gh-pages/tutorials/mpi-send-and-receive/code/ring.c',
                    'mpicc -o /usr/local/bin/mpi-hello /usr/local/mpi-examples/hello.c',
                    'mpicc -o /usr/local/bin/mpi-ring /usr/local/mpi-examples/ring.c',
                    'mpicc -o /usr/local/bin/mpi-bandwidth /usr/local/mpi-examples/mpi_bandwidth.c',
                ])
                Stage1 += copy(_from='build',
                               src='/usr/local/bin/mpi-*',
                               dest='/usr/local/bin/')

            # Stage0 += mlnx_ofed()

        if ogs_version != 'clean':
            Stage0 += ogs_base()
        if args.gui:
            Stage0 += packages(apt=[
                'mesa-common-dev', 'libgl1-mesa-dev', 'libglu1-mesa-dev',
                'libxt-dev'
            ],
                               yum=[
                                   'mesa-libOSMesa-devel', 'mesa-libGL-devel',
                                   'mesa-libGLU-devel', 'libXt-devel'
                               ])
            Stage1 += packages(
                apt=[
                    'libosmesa6', 'libgl1-mesa-glx', 'libglu1-mesa', 'libxt6',
                    'libopengl0'
                ],
                yum=['mesa-libOSMesa', 'mesa-libGL', 'mesa-libGLU', 'libXt'])
        if ogs_version != 'clean':
            if ogscm.config.g_package_manager == package_manager.CONAN:
                Stage0 += cmake(eula=True, version='3.16.6')
                conan_user_home = '/opt/conan'
                if args.dev:
                    conan_user_home = ''
                Stage0 += pm_conan(user_home=conan_user_home)
                Stage0 += environment(variables={'CONAN_SYSREQUIRES_SUDO': 0})
            elif ogscm.config.g_package_manager == package_manager.SYSTEM:
                Stage0 += cmake(eula=True, version='3.16.6')
                Stage0 += boost(version='1.66.0', bootstrap_opts=['headers'])
                Stage0 += environment(
                    variables={'BOOST_ROOT': '/usr/local/boost'})
                vtk_cmake_args = [
                    '-DModule_vtkIOXML=ON', '-DModule_vtkIOXdmf3=ON',
                    '-DVTK_Group_Rendering=OFF', '-DVTK_Group_StandAlone=OFF'
                ]
                if args.gui:
                    Stage0 += packages(apt=[
                        'libgeotiff-dev', 'libshp-dev', 'libnetcdf-c++4-dev',
                        'libqt5x11extras5-dev', 'libqt5xmlpatterns5-dev',
                        'qt5-default'
                    ],
                                       yum=[
                                           'libgeotiff-devel',
                                           'shapelib-devel', 'netcdf-devel',
                                           'qt5-qtbase-devel',
                                           'qt5-qtxmlpatterns-devel',
                                           'qt5-qtx11extras-devel'
                                       ])
                    Stage1 += packages(apt=[
                        'geotiff-bin', 'shapelib', 'libnetcdf-c++4',
                        'libqt5x11extras5', 'libqt5xmlpatterns5', 'qt5-default'
                    ],
                                       yum=[
                                           'libgeotiff', 'shapelib', 'netcdf',
                                           'qt5-qtbase', 'qt5-qtxmlpatterns',
                                           'qt5-qtx11extras'
                                       ])
                    vtk_cmake_args = [
                        '-DModule_vtkIOXdmf3=ON',
                        '-DVTK_BUILD_QT_DESIGNER_PLUGIN=OFF',
                        '-DVTK_Group_Qt=ON', '-DVTK_QT_VERSION=5'
                    ]
                if hpccm.config.g_linux_distro == linux_distro.CENTOS:
                    # otherwise linker error, maybe due to gcc 10?
                    vtk_cmake_args.extend([
                        '-DBUILD_SHARED_LIBS=OFF',
                        '-DCMAKE_POSITION_INDEPENDENT_CODE=ON'
                    ])
                if args.insitu:
                    if args.gui:
                        print('--gui can not be used with --insitu!')
                        exit(1)
                    Stage0 += paraview(cmake_args=['-DPARAVIEW_USE_PYTHON=ON'],
                                       edition='CATALYST',
                                       ldconfig=True,
                                       toolchain=toolchain,
                                       version="v5.8.1")
                else:
                    if toolchain.CC == 'mpicc':
                        vtk_cmake_args.extend([
                            '-D Module_vtkIOParallelXML=ON',
                            '-D Module_vtkParallelMPI=ON'
                        ])
                    Stage0 += generic_cmake(
                        cmake_opts=vtk_cmake_args,
                        devel_environment={'VTK_ROOT': '/usr/local/vtk'},
                        directory='VTK-8.2.0',
                        ldconfig=True,
                        prefix='/usr/local/vtk',
                        toolchain=toolchain,
                        url=
                        'https://www.vtk.org/files/release/8.2/VTK-8.2.0.tar.gz'
                    )
                if ompi != 'off':
                    Stage0 += packages(yum=['diffutils'])
                    Stage0 += generic_autotools(
                        configure_opts=[
                            f'CC={toolchain.CC}', f'CXX={toolchain.CXX}',
                            '--CFLAGS=\'-O3\'', '--CXXFLAGS=\'-O3\'',
                            '--FFLAGS=\'-O3\'', '--with-debugging=no',
                            '--with-fc=0', '--download-f2cblaslapack=1'
                        ],
                        devel_environment={'PETSC_DIR': '/usr/local/petsc'},
                        directory='petsc-3.11.3',
                        ldconfig=True,
                        preconfigure=[
                            "sed -i -- 's/python/python3/g' configure"
                        ],
                        prefix='/usr/local/petsc',
                        toolchain=toolchain,
                        url='http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/'
                        'petsc-lite-3.11.3.tar.gz')

                Stage0 += generic_cmake(
                    devel_environment={
                        'Eigen3_ROOT': '/usr/local/eigen',
                        'Eigen3_DIR': '/usr/local/eigen'
                    },
                    directory='eigen-3.3.7',
                    prefix='/usr/local/eigen',
                    url=
                    'https://gitlab.com/libeigen/eigen/-/archive/3.3.7/eigen-3.3.7.tar.gz'
                )
        if args.cvode:
            Stage0 += generic_cmake(
                cmake_opts=[
                    '-D EXAMPLES_INSTALL=OFF', '-D BUILD_SHARED_LIBS=OFF',
                    '-D CMAKE_POSITION_INDEPENDENT_CODE=ON'
                ],
                devel_environment={'CVODE_ROOT': '/usr/local/cvode'},
                directory='cvode-2.8.2',
                prefix='/usr/local/cvode',
                url='https://github.com/ufz/cvode/archive/2.8.2.tar.gz')

        if args.cppcheck:
            Stage0 += generic_cmake(
                devel_environment={'PATH': '/usr/local/cppcheck/bin:$PATH'},
                directory='cppcheck-809a769c690d8ab6fef293e41a29c8490512866e',
                prefix='/usr/local/cppcheck',
                runtime_environment={'PATH': '/usr/local/cppcheck/bin:$PATH'},
                url=
                'https://github.com/danmar/cppcheck/archive/809a769c690d8ab6fef293e41a29c8490512866e.tar.gz'
            )

        if args.iwyy and args.compiler == 'clang':
            Stage0 += packages(ospackages=[
                'libncurses5-dev', 'zlib1g-dev',
                f"llvm-{args.compiler_version}-dev",
                f"libclang-{args.compiler_version}-dev"
            ])
            Stage0 += generic_cmake(
                cmake_opts=[
                    f"-D IWYU_LLVM_ROOT_PATH=/usr/lib/llvm-{args.compiler_version}"
                ],
                devel_environment={'PATH': '/usr/local/iwyy/bin:$PATH'},
                directory=
                f"include-what-you-use-clang_{args.compiler_version}.0",
                prefix='/usr/local/iwyy',
                runtime_environment={'PATH': '/usr/local/iwyy/bin:$PATH'},
                url="https://github.com/include-what-you-use/include-what-"
                f"you-use/archive/clang_{args.compiler_version}.0.tar.gz")
        if args.docs:
            Stage0 += packages(
                ospackages=['doxygen', 'graphviz', 'texlive-base'])
        if args.gcovr:
            Stage0 += pip(pip='pip3', packages=['gcovr'])

        if args.dev:
            Stage0 += packages(ospackages=[
                'neovim', 'gdb', 'silversearcher-ag', 'ssh-client', 'less'
            ])

        if args.pip:
            Stage0 += pip(packages=args.pip, pip='pip3')
            Stage1 += pip(packages=args.pip, pip='pip3')

        if args.packages:
            Stage0 += packages(ospackages=args.packages)

        if args.tfel:
            Stage0 += generic_cmake(
                directory='tfel-TFEL-3.3.0',
                ldconfig=True,
                url='https://github.com/thelfer/tfel/archive/TFEL-3.3.0.tar.gz',
                prefix='/usr/local/tfel')
            Stage0 += environment(variables={'TFELHOME': '/usr/local/tfel'})

        definition_file_path = os.path.join(info.out_dir, info.definition_file)
        if args.ccache:
            Stage0 += ccache(cache_size='15G')
        if ogs_version != 'off' and ogs_version != 'clean':
            mount_args = ''
            if args.ccache:
                mount_args = f'{mount_args} --mount=type=cache,target=/opt/ccache,id=ccache'
            if args.cvode:
                cmake_args.append('-DOGS_USE_CVODE=ON')
            if args.gui:
                cmake_args.append('-DOGS_BUILD_GUI=ON')
            if args.insitu:
                cmake_args.append('-DOGS_INSITU=ON')

            Stage0 += raw(docker=f"ARG OGS_COMMIT_HASH={info.commit_hash}")

            scif_file = f"{info.out_dir}/ogs.scif"
            if info.ogsdir:
                context_path_size = len(ogs_version)
                print(f"chdir to {ogs_version}")
                os.chdir(ogs_version)
                mount_args = f'{mount_args} --mount=type=bind,target=/scif/apps/ogs/src,rw'
                scif_file = f"{info.out_dir[context_path_size+1:]}/ogs.scif"
                definition_file_path = f"{info.out_dir[context_path_size+1:]}/{info.definition_file}"

            ogs_app = scif(_arguments=mount_args, name='ogs', file=scif_file)
            ogs_app += ogs(repo=info.repo,
                           branch=info.branch,
                           commit=info.commit_hash,
                           git_version=info.git_version,
                           toolchain=toolchain,
                           prefix='/scif/apps/ogs',
                           cmake_args=cmake_args,
                           parallel=args.parallel,
                           remove_build=True,
                           remove_source=True)
            Stage0 += ogs_app

        stages_string = str(Stage0)

        if args.runtime_only:
            Stage1 += Stage0.runtime(exclude=['boost'])
            if args.compiler == 'gcc' and args.compiler_version != None:
                Stage1 += packages(apt=['libstdc++6'])
            stages_string += "\n\n" + str(Stage1)

        # ---------------------------- recipe end -----------------------------
        with open(definition_file_path, 'w') as f:
            print(stages_string, file=f)
        if args.print:
            print(stages_string)
        else:
            print(
                f'Created definition {os.path.abspath(definition_file_path)}')

        # Create image
        if not args.build:
            continue

        if __format == 'singularity':
            subprocess.run(
                f"sudo `which singularity` build --force {info.images_out_dir}/{info.img_file}.sif"
                f"{definition_file_path}",
                shell=True)
            subprocess.run(
                f"sudo chown $USER:$USER {info.images_out_dir}/{info.img_file}.sif",
                shell=True)
            # TODO: adapt this to else
            continue

        build_cmd = (f"DOCKER_BUILDKIT=1 docker build {args.build_args} "
                     f"-t {info.tag} -f {definition_file_path} .")
        print(f"Running: {build_cmd}")
        subprocess.run(build_cmd, shell=True)
        inspect_out = subprocess.check_output(
            f"docker inspect {info.tag} | grep Id",
            shell=True).decode(sys.stdout.encoding)
        image_id = re.search('sha256:(\w*)', inspect_out).group(1)
        image_id_short = image_id[0:12]
        if args.upload:
            subprocess.run(f"docker push {info.tag}", shell=True)
        if args.sif_file:
            image_file = f'{info.images_out_dir}/{args.sif_file}'
        else:
            image_file = f'{info.images_out_dir}/{info.img_file}-{image_id_short}.sif'
        if args.convert and not os.path.exists(image_file):
            subprocess.run(
                f"cd {cwd} && singularity build --force {image_file} docker-daemon:{info.tag}",
                shell=True)

        # Deploy image
        if not args.deploy:
            continue

        deploy_config_filename = f'{cwd}/config/deploy_hosts.yml'
        if not os.path.isfile(deploy_config_filename):
            print(
                f'ERROR: {deploy_config_filename} not found but required for deploying!'
            )
            exit(1)

        with open(deploy_config_filename, 'r') as ymlfile:
            deploy_config = yaml.load(ymlfile, Loader=yaml.FullLoader)
        if not args.deploy == 'ALL' and not args.deploy in deploy_config:
            print(f'ERROR: Deploy host "{args.deploy}" not found in config!')
            exit(1)
        deploy_hosts = {}
        if args.deploy == 'ALL':
            deploy_hosts = deploy_config
        else:
            deploy_hosts[args.deploy] = deploy_config[args.deploy]
        for deploy_host in deploy_hosts:
            deploy_info = deploy_hosts[deploy_host]
            print(f'Deploying to {deploy_info} ...')
            proxy_cmd = ''
            user_cmd = ''
            if 'user' in deploy_info:
                user_cmd = f"{deploy_info['user']}@"
            if 'proxy' in deploy_info:
                proxy_cmd = f"-e 'ssh -A -J {user_cmd}{deploy_info['proxy']}'"
                print(proxy_cmd)
            print(
                subprocess.check_output(
                    f"rsync -c -v {proxy_cmd} {image_file} {user_cmd}{deploy_info['host']}:{deploy_info['dest_dir']}",
                    shell=True).decode(sys.stdout.encoding))