JupyterKernel-PyDeepLearning-2025.1-GCCcore-13.3.0-4.3.4.eb

# This file is part of JSC's public easybuild repository (https://github.com/easybuilders/jsc)
easyblock = 'PythonBundle'

name = 'JupyterKernel-PyDeepLearning'
version = '2025.1'
local_jupyterver = '4.3.4'
versionsuffix = '-' + local_jupyterver

homepage = 'https://www.fz-juelich.de'
description = """
Special DeepLearning kernel for Jupyter.
Project Jupyter exists to develop open-source software, open-standards, and services
for interactive computing across dozens of programming languages.
"""

toolchain = {'name': 'GCCcore', 'version': '13.3.0'}
toolchainopts = {'pic': True}

builddependencies = [
    ('binutils', '2.42'),
    # just ensure they exist
    ('CUDA', '12', '', SYSTEM),
    ('OpenCV', '4.11.0', '-contrib', ('gcccoreflexiblas', '13.3.0-3.4.4')),
    ('protobuf-python', '5.28.0'),
    ('PyTorch', '2.5.1', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
    ('PyTorch-Lightning', '2.5.0.post0', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
    ('torchvision', '0.20.1', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
    ('torchaudio', '2.5.1', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
    ('tensorboard', '2.18.0', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
]

dependencies = [
    ('Python', '3.12.3'),
    ('JupyterLab', local_jupyterver),
]


components = [
    ('logos', '1.0', {
        'easyblock': 'Binary',
        'sources': [
            {'filename': 'logo-32x32.png', 'extract_cmd': "cp %s %%(builddir)s/"},
            {'filename': 'logo-64x64.png', 'extract_cmd': "cp %s %%(builddir)s/"},
            {'filename': 'logo-128x128.png', 'extract_cmd': "cp %s %%(builddir)s/"},
        ],
        'checksums': [
            {'logo-32x32.png': 'd093715a38f058c78455c0fc15e3eabe18f05a9226574da92a42bb94a84e6dcf'},
            {'logo-64x64.png': '1429763bb9f1231696b11298a7cb34689941f49164b17150fde8b5ede5feb903'},
            {'logo-128x128.png': '96d0eac3b9da9b31ac2523e8c0aa64571ae165267443adcd87a8796276aea96c'},
        ],
    }),
]

exts_default_options = {
    'source_urls': [PYPI_SOURCE],
    'use_pip': True,
    'sanity_pip_check': False,  # skip as it requires protobuf, TensorFlow
    'download_dep_fail': True,
    'use_pip_for_deps': False,
}

exts_list = [
    ('lmdb', '1.6.2', {
        'checksums': ['d28e3fa59935ff688858760ec52f202ecb8c1089a3f68d1f162ea3078d151e73'],
    }),
    ('gviz_api', '1.10.0', {
        'checksums': ['846692dd8cc73224fc31b18e41589bd934e1cc05090c6576af4b4b26c2e71b90'],
    }),
    ('tensorboard_plugin_profile', '2.18.0', {
        'checksums': ['6246019aa31e9563e5baf6f67a61c6615e017b705492f6622677acda8cec2108'],
    }),
    ('tensorflow_hub', '0.16.1', {
        'modulename': False,
        'source_tmpl': 'tensorflow_hub-%(version)s-py2.py3-none-any.whl',
        'unpack_sources': False,
        'checksums': ['e10c184b3d08daeafada11ffea2dd46781725b6bef01fad1f74d6634ad05311f'],
    }),
]

local_kernel_dir = 'pydeeplearning'
local_kernel_name = 'PyDeepLearning-%s' % version

modextrapaths = {
    'JUPYTER_PATH': ['share/jupyter'],  # add search path for kernelspecs
    'HOROVOD_MPI_THREADS_DISABLE': ['1'],  # no mpi by default
}

# Ensure that the user-specific $HOME/.local/share/jupyter is always first entry in JUPYTHER_PATH
modluafooter = """
remove_path("JUPYTER_PATH", pathJoin(os.getenv("HOME"), ".local/share/jupyter"))
prepend_path("JUPYTER_PATH", pathJoin(os.getenv("HOME"), ".local/share/jupyter"))
"""

postinstallcmds = [
    # create kernel skeleton
    (
        'python -m ipykernel install --name=%s --prefix=%%(installdir)s && '
        'rm -f %%(installdir)s/share/jupyter/kernels/%s/logo-svg.svg && '
        'mv %%(installdir)s/logo-32x32.png   %%(installdir)s/share/jupyter/kernels/%s/logo-32x32.png && '
        'mv %%(installdir)s/logo-64x64.png   %%(installdir)s/share/jupyter/kernels/%s/logo-64x64.png && '
        'mv %%(installdir)s/logo-128x128.png %%(installdir)s/share/jupyter/kernels/%s/logo-128x128.png'
    ) % (local_kernel_dir, local_kernel_dir, local_kernel_dir, local_kernel_dir, local_kernel_dir),

    # write kernel.sh
    (
        '{ cat > %%(installdir)s/share/jupyter/kernels/%s/kernel.sh; } << EOF\n'
        '#!/bin/bash \n'
        '\n'
        '# Load required modules \n'
        'module purge \n'
        'module load Stages/${STAGE} \n'
        'module load GCCcore/.13.3.0 \n'
        'module load %s/.%s%s \n'
        '\n'
        'module load OpenCV \n'
        'module load protobuf-python/.5.28.0 \n'
        'module load PyTorch \n'
        'module load PyTorch-Lightning \n'
        'module load torchvision \n'
        'module load torchaudio \n'
        'module load tensorboard \n'
        '\n'
        'export PYTHONPATH=%%(installdir)s/lib/python%%(pyshortver)s/site-packages:\$PYTHONPATH \n'
        'exec python -m ipykernel \$@\n'
        '\n'
        'EOF'
    ) % (local_kernel_dir, name, version, versionsuffix),
    'chmod +x %%(installdir)s/share/jupyter/kernels/%s/kernel.sh' % local_kernel_dir,

    # write kernel.json
    (
        '{ cat > %%(installdir)s/share/jupyter/kernels/%s/kernel.json; } << \'EOF\'\n'
        '{ \n'
        '  "argv": [ \n'
        '    "%%(installdir)s/share/jupyter/kernels/%s/kernel.sh", \n'
        '    "-m", \n'
        '    "ipykernel_launcher", \n'
        '    "-f", \n'
        '    "{connection_file}" \n'
        '  ], \n'
        '  "display_name": "%s", \n'
        '  "language": "python", \n'
        '  "name": "%s", \n'
        '  "metadata": { \n'
        '    "debugger": true \n'
        '  } \n'
        '}\n'
        'EOF'
    ) % (local_kernel_dir, local_kernel_dir, local_kernel_name, local_kernel_name),
]

sanity_check_paths = {
    'files': [
        'share/jupyter/kernels/%s/kernel.sh' % local_kernel_dir,
        'share/jupyter/kernels/%s/kernel.json' % local_kernel_dir,
    ],
    'dirs': [
        'share/jupyter/kernels/',
    ],
}

moduleclass = 'tools'