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Merge pull request #456 from bear-rsg/grape023
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grape024
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branfosj authored Aug 29, 2024
2 parents 91a3f8f + 16c5229 commit 1fe6d01
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156 changes: 156 additions & 0 deletions easyconfigs/g/GRAPE/GRAPE-0.2.4-gfbf-2023a.eb
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# This easyconfig was created by the BEAR Software team at the University of Birmingham.
easyblock = 'PythonBundle'

name = 'GRAPE'
version = '0.2.4'

homepage = "https://github.com/AnacletoLAB/grape/tree/main"
description = """GRAPE (Graph Representation leArning, Predictions and Evaluation) is a fast graph processing and
embedding library, designed to scale with big graphs and to run on both off-the-shelf laptop and desktop computers and
High-Performance Computing clusters of workstations.
The library is written in Rust and Python programming languages, and has been developed by AnacletoLAB (Dept. of
Computer Science of the University of Milan), in collaboration with the Robinson Lab - Jackson Laboratory for Genomic
Medicine and with the BBOP - Lawrence Berkeley National Laboratory.
The library is composed of two main modules, Ensmallen, which is the Rust/Python high-performance graph processing
submodule, and Embiggen, which is the Python Graph Representation learning, Prediction and Evaluation submodule.
"""

toolchain = {'name': 'foss', 'version': '2023a'}

builddependencies = [
('maturin', '1.4.0', '-Rust-1.75.0'),
('Python', '3.11.3'),
('hatchling', '1.18.0'),
('scikit-build', '0.17.6'),
]

dependencies = [
('Python-bundle-PyPI', '2023.06'),
('IPython', '8.14.0'),
('scikit-learn', '1.4.2'),
('SciPy-bundle', '2023.07'),
('imageio', '2.33.1'),
('matplotlib', '3.7.2'),
('tqdm', '4.66.1'),
('BeautifulSoup', '4.12.2'),
('typing-extensions', '4.9.0'),
('OpenCV', '4.8.1', '-contrib'),
('pydantic', '2.5.3'),
]

sanity_pip_check = True
use_pip = True
use_pip_extras = "auditwheel"
download_dep_fail = True

exts_default_options = {
'source_urls': [PYPI_LOWER_SOURCE],
'source_tmpl': SOURCELOWER_TAR_GZ
}

exts_list = [
('PyTrie', '0.4.0', {
'sources': {'download_filename': 'PyTrie-%(version)s.tar.gz', 'filename': '%(name)s-%(version)s.tar.gz'},
'checksums': ['8f4488f402d3465993fb6b6efa09866849ed8cda7903b50647b7d0342b805379'],
}),
('curies', '0.7.0', {
'checksums': ['6ce4b3b6202f7fed9ccef4b6b91fc6a13de233774fc39088e64bc676b1a4a48e'],
}),
('more_click', '0.1.2', {
'checksums': ['085da66d5a9b823c5d912a888dca1fa0c8b3a14ed1b21ea9c8a1b814857a3981'],
}),
('stack_data', '0.6.3', {
'checksums': ['836a778de4fec4dcd1dcd89ed8abff8a221f58308462e1c4aa2a3cf30148f0b9'],
}),
('prompt_toolkit', '3.0.43', {
'checksums': ['3527b7af26106cbc65a040bcc84839a3566ec1b051bb0bfe953631e704b0ff7d'],
}),
('pure_eval', '0.2.2', {
'checksums': ['2b45320af6dfaa1750f543d714b6d1c520a1688dec6fd24d339063ce0aaa9ac3'],
}),
('pystow', '0.5.4', {
'checksums': ['2692180cb405bd77259bee6c7f4db545d10e81939980064730609f21750567ff'],
}),
('bioregistry', '0.11.14', {
'checksums': ['373d5957925b5d37f582ea3394336b3d71b75a0ada55d56324797fdd64c4b5e8'],
}),
('downloaders', '1.0.20', {
'checksums': ['8ed2f3c5d95296ee59d004421c735fff9c46b89ef51ff5f4e861a10636ecb960'],
}),
('ddd_subplots', '1.0.27', {
'preinstallopts': 'sed -i "s/opencv-python/opencv-contrib-python/" setup.py &&',
'checksums': ['925a61b888ee0491650cac022f28059e415486022a8ec33329c0555a0429f649'],
}),
('keras_mixed_sequence', '1.0.29', {
'modulename': False,
'checksums': ['4d49f4325988dccd9d1f6d1ea53e1fc0be8a4479545387f79db7d9245ed66e91'],
}),
('humanize', '4.8.0', {
'checksums': ['9783373bf1eec713a770ecaa7c2d7a7902c98398009dfa3d8a2df91eec9311e8'],
}),
('deflate_dict', '1.2.0', {
'checksums': ['f03d8335629b192467fcc4ce5cb4fdc0f716e3ebdd0bd30edbf81113d49e2bb8'],
}),
('dict_hash', '1.3.0', {
'checksums': ['57dd361a9a3345ce9fae914327f2e51d0ebe40a48dbf5238eb078786bdcb03ff'],
}),
('compress_pickle', '2.1.0', {
'checksums': ['3e944ce0eeab5b6331324d62351c957d41c9327c8417d439843e88fe69b77991'],
}),
('compress_json', '1.1.0', {
'checksums': ['0fcc3fb518250546e747af4b00cca488c62c60cee84a79f33374ff0b77adec43'],
}),
('sanitize_ml_labels', '1.1.0', {
'checksums': ['f28be5075f8b12ba6043beac40d3df8c653db8477e22df93a4a41df784b51138'],
}),
('py-cpuinfo', '9.0.0', {
'modulename': 'cpuinfo',
'checksums': ['3cdbbf3fac90dc6f118bfd64384f309edeadd902d7c8fb17f02ffa1fc3f49690'],
}),
('IPy', '1.01', {
'modulename': 'IPy',
'sources': {'download_filename': 'IPy-%(version)s.tar.gz', 'filename': '%(name)s-%(version)s.tar.gz'},
'checksums': ['edeca741dea2d54aca568fa23740288c3fe86c0f3ea700344571e9ef14a7cc1a'],
}),
('environments_utils', '1.0.13', {
'checksums': ['ffb304f746d5da2c441d19cc6ab8a6a6df9c865afbc0a305c1d5d49d1d5c357c'],
}),
('jaro_winkler', '2.0.3', {
'modulename': 'jaro',
'source_tmpl': '%(name)s-%(version)s-py3-none-any.whl',
'checksums': ['9ad42a94eb110351e72dd5b9e0a0f1053b0760761d676f9be35da19ea80d511b'],
}),
('validate_email', '1.3', {
'checksums': ['784719dc5f780be319cdd185dc85dd93afebdb6ebb943811bc4c7c5f9c72aeaf'],
}),
('validate_version_code', '1.0.4', {
'checksums': ['5d766d1b9b9c10f354542f6376bfd764037c8bdf4f6e59dfc9ed60dc14e2600b'],
}),
('validators', '0.33.0', {
'checksums': ['535867e9617f0100e676a1257ba1e206b9bfd847ddc171e4d44811f07ff0bfbf'],
}),
('userinput', '1.0.22', {
'checksums': ['b74ef2221c3749ecfd845763caa4d4f7d5554e4ab5c5828f775f10566b401690'],
}),
('pydot', '3.0.1', {
'checksums': ['e18cf7f287c497d77b536a3d20a46284568fea390776dface6eabbdf1b1b5efc'],
}),
('cache_decorator', '2.2.0', {
'checksums': ['ebb427b5acb00fb0a47ed9fc7d52fe96de94f40ca52f381205ace8756df6df5a'],
}),
('ensmallen', '0.8.98', {
'source_tmpl': '%(name)s-%(version)s-cp37-abi3-manylinux2014_%(arch)s.manylinux_2_17_%(arch)s.whl',
'checksums': ['05d195e14c67bab152c1193dc1a6ef2126e631bff23701309182943c32be3760'],
}),
('embiggen', '0.11.95', {
'checksums': ['6e68b501be2e1ee80a2d2a799bd321dbb1d53c8bb2608118440c09bdc9acb864'],
}),
(name, version, {
'modulename': 'grape',
'checksums': ['119ef66ea8486fae52a3e0a1b6658758e0723704805e9b069fccdfdeeab3692e'],
}),
]

moduleclass = 'data'

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