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95ef534416
new file: n/networkx/networkx-3.1-foss-2022b.eb modified: o/OpenMPI/OpenMPI-4.1.4-GCC-12.2.0.eb new file: p/PSI4/PSI4-1.7-foss-2021b.eb new file: p/PSI4/PSI4-1.8.1-foss-2022b.eb new file: p/PSI4/PSI4-1.8.1_fix_cmake_release.patch new file: p/PSI4/PSI4-1.8.1_fix_snsmp2_version.patch new file: p/pytest/pytest-7.2.2-GCCcore-12.2.0.eb new file: s/SciPy-bundle/SciPy-bundle-2023.02-foss-2022b.eb
91 lines
3.1 KiB
Plaintext
91 lines
3.1 KiB
Plaintext
# IT4Innovations
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# LK 2023
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easyblock = 'PythonBundle'
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name = 'SciPy-bundle'
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version = '2023.02'
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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': 'foss', 'version': '2022b'}
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toolchainopts = {'pic': True, 'lowopt': True}
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builddependencies = [
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('hypothesis', '6.68.2'),
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('UnZip', '6.0'),
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# scipy >= 1.9.0 uses Meson/Ninja
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('Meson', '0.64.0'),
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('Ninja', '1.11.1'),
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('pkgconf', '1.9.3'), # required by scipy
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]
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dependencies = [
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('Python', '3.10.8'),
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('pybind11', '2.10.3'), # required by scipy
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]
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use_pip = True
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# order is important!
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exts_list = [
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('numpy', '1.24.2', {
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'patches': ['numpy-1.22.3_disable-broken-override-test.patch'],
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'checksums': [
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{'numpy-1.24.2.tar.gz': '003a9f530e880cb2cd177cba1af7220b9aa42def9c4afc2a2fc3ee6be7eb2b22'},
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{'numpy-1.22.3_disable-broken-override-test.patch':
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'9c589bb073b28b25ff45eb3c63c57966aa508dd8b318d0b885b6295271e4983c'},
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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', '0.5.3', {
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'checksums': ['cfbea25820e653af9c7d1807f659ce0a0a9c64f2439421a7bba4f0983f532dea'],
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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', '0.12.1', {
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'checksums': ['702c2701187cfb38f66c0c20cc85d04d0e156d260a8d92892da65947faa5360e'],
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}),
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('scipy', '1.10.1', {
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'patches': [
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'scipy-1.10.1_disable-tests.patch',
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'scipy-1.10.1_xfail-aarch64_test_maxiter_worsening.patch',
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'scipy-1.10.1_fix-lobpcg-test.patch',
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],
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'checksums': [
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{'scipy-1.10.1.tar.gz': '2cf9dfb80a7b4589ba4c40ce7588986d6d5cebc5457cad2c2880f6bc2d42f3a5'},
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{'scipy-1.10.1_disable-tests.patch': '5d36d416fb7ea9297514c3988d9f506793e39dc4c0daedccf6733c3dd7e3dcc0'},
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{'scipy-1.10.1_xfail-aarch64_test_maxiter_worsening.patch':
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'48177d6af51cf3e3d46aed8425807f0a65a498f7558f475032e0ad846559a23e'},
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{'scipy-1.10.1_fix-lobpcg-test.patch': 'eb4c576959108df0b1749705e64fe42e79edcf5aa8f6b4d7908f9b136d0d6648'},
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],
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'enable_slow_tests': True,
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'ignore_test_result': False,
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}),
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('numexpr', '2.8.4', {
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'checksums': ['d5432537418d18691b9115d615d6daa17ee8275baef3edf1afbbf8bc69806147'],
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}),
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('Bottleneck', '1.3.5', {
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'checksums': ['2c0d27afe45351f6f421893362621804fa7dea14fe29a78eaa52d4323f646de7'],
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}),
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('pandas', '1.5.3', {
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'preinstallopts': "export PANDAS_CI=0 && ",
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'checksums': ['74a3fd7e5a7ec052f183273dc7b0acd3a863edf7520f5d3a1765c04ffdb3b0b1'],
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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', '1.3.3', {
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'checksums': ['8772f1b0fff042d5e516b0aebac2c706243045aa7d0de8e0b8658f380181cf31'],
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'modulename': 'deap.base',
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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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