mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
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fa4b2c02a3
new file: n/NAMD/NAMD-2.9-intel-2017c-mpi.eb new file: p/PSI4/PSI4-1.3.2-intel-2020a-Python-3.8.2-karolina.eb new file: p/pybind11/pybind11-2.7.1-GCCcore-10.2.0.eb modified: p/pytest/pytest-6.0.1-intel-2020a-Python-3.8.2.eb new file: s/SciPy-bundle/SciPy-bundle-2020.03-AOCC-3.1.0-OAMD-2021a.eb new file: s/SciPy-bundle/test-SciPy-bundle-2021.10-AOCC-3.1.0-OAMD-2021a.eb
77 lines
2.6 KiB
Plaintext
77 lines
2.6 KiB
Plaintext
easyblock = 'PythonBundle'
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name = 'SciPy-bundle'
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version = '2021.10'
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homepage = 'https://python.org/'
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description = "Bundle of Python packages for scientific software"
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toolchain = {'name': 'OAMD', 'version': '2021a'}
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toolchainopts = {'pic': True, 'lowopt': True}
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builddependencies = [
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('hypothesis', '6.14.6', '', ('GCCcore', '10.2.0')),
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('UnZip', '6.0', '', ('GCCcore', '10.2.0')),
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]
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dependencies = [
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('Python', '3.8.6', '', ('GCCcore', '10.2.0')),
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('pybind11', '2.7.1', '', ('GCCcore','10.2.0')), # required by scipy
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]
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use_pip = True
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preconfigopts = [ 'export MKL_DEBUG_CPU_TYPE=5 && ']
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#exts_default_options = {'source_urls': [PYPI_SOURCE]}
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# order is important!
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exts_list = [
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('numpy', '1.21.3', {
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'sources': ['%(name)s-%(version)s.zip'],
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'patches': ['numpy-1.20.3_skip-ppc-long-complex-test.patch'],
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'checksums': [
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'63571bb7897a584ca3249c86dd01c10bcb5fe4296e3568b2e9c1a55356b6410e', # numpy-1.21.3.zip
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# numpy-1.20.3_skip-ppc-long-complex-test.patch
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'2f9a12e3a352b39076db84a7622fc8f4796abd3cb7f97f71958a495e864659a4',
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],
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}),
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('ply', '3.11', {
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'checksums': ['00c7c1aaa88358b9c765b6d3000c6eec0ba42abca5351b095321aef446081da3'],
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}),
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('gast', '0.5.2', {
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'checksums': ['f81fcefa8b982624a31c9e4ec7761325a88a0eba60d36d1da90e47f8fe3c67f7'],
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}),
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('beniget', '0.4.1', {
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'checksums': ['75554b3b8ad0553ce2f607627dad3d95c60c441189875b98e097528f8e23ac0c'],
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}),
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('pythran', '0.10.0', {
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'checksums': ['9dac8e1d50f33d4676003e350b1f0c878ce113e6f907920e92dc103352cac5bf'],
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}),
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('scipy', '1.7.1', {
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'checksums': ['6b47d5fa7ea651054362561a28b1ccc8da9368a39514c1bbf6c0977a1c376764'],
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}),
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('mpi4py', '3.1.1', {
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'checksums': ['e11f8587a3b93bb24c8526addec664b586b965d83c0882b884c14dc3fd6b9f5c'],
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}),
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('numexpr', '2.7.3', {
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'checksums': ['43616529f9b7d1afc83386f943dc66c4da5e052f00217ba7e3ad8dd1b5f3a825'],
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}),
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('Bottleneck', '1.3.2', {
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'checksums': ['20179f0b66359792ea283b69aa16366419132f3b6cf3adadc0c48e2e8118e573'],
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}),
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('pandas', '1.3.4', {
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'preinstallopts': """sed -i 's@extra_compile_args = \["-Werror"\]@extra_compile_args = []@g' setup.py && """,
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'checksums': ['a2aa18d3f0b7d538e21932f637fbfe8518d085238b429e4790a35e1e44a96ffc'],
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}),
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('mpmath', '1.2.1', {
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'checksums': ['79ffb45cf9f4b101a807595bcb3e72e0396202e0b1d25d689134b48c4216a81a'],
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}),
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('deap', '1.3.1', {
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'checksums': ['11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f'],
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}),
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]
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sanity_pip_check = True
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moduleclass = 'lang'
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