From 498228b75e3ca52e06736ef8148f877e7b8552e8 Mon Sep 17 00:00:00 2001 From: Jasper Grimm Date: Mon, 30 May 2022 11:35:14 +0100 Subject: [PATCH 1/2] adding easyconfigs: SciPy-bundle-2022.05-foss-2022.05.eb --- .../SciPy-bundle-2022.05-foss-2022.05.eb | 88 +++++++++++++++++++ 1 file changed, 88 insertions(+) create mode 100644 easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022.05.eb diff --git a/easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022.05.eb b/easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022.05.eb new file mode 100644 index 000000000000..72c168899cd9 --- /dev/null +++ b/easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022.05.eb @@ -0,0 +1,88 @@ +easyblock = 'PythonBundle' + +name = 'SciPy-bundle' +version = '2022.05' + +homepage = 'https://python.org/' +description = "Bundle of Python packages for scientific software" + +toolchain = {'name': 'foss', 'version': '2022.05'} +toolchainopts = {'pic': True, 'lowopt': True} + +builddependencies = [ + ('hypothesis', '6.46.7'), + ('UnZip', '6.0'), +] + +dependencies = [ + ('Python', '3.10.4'), + ('pybind11', '2.9.2'), # required by scipy +] + +use_pip = True + +# order is important! +exts_list = [ + ('numpy', '1.22.3', { + 'patches': [ + 'numpy-1.18.2-mkl.patch', + 'numpy-1.20.3_disable_fortran_callback_test.patch', + 'numpy-1.22.3_disable-broken-override-test.patch', + ], + 'sources': ['%(name)s-%(version)s.zip'], + 'checksums': [ + 'dbc7601a3b7472d559dc7b933b18b4b66f9aa7452c120e87dfb33d02008c8a18', # numpy-1.22.3.zip + 'ea25ad5c0148c1398d282f0424e642fb9815a1a80f4512659b018e2adc378bcf', # numpy-1.18.2-mkl.patch + # numpy-1.20.3_disable_fortran_callback_test.patch + '44975a944544fd0e771b7e63c32590d257a3713070f8f7fdf60105dc516f1d75', + # numpy-1.22.3_disable-broken-override-test.patch + '9c589bb073b28b25ff45eb3c63c57966aa508dd8b318d0b885b6295271e4983c', + ], + }), + ('ply', '3.11', { + 'checksums': ['00c7c1aaa88358b9c765b6d3000c6eec0ba42abca5351b095321aef446081da3'], + }), + ('gast', '0.5.3', { + 'checksums': ['cfbea25820e653af9c7d1807f659ce0a0a9c64f2439421a7bba4f0983f532dea'], + }), + ('beniget', '0.4.1', { + 'checksums': ['75554b3b8ad0553ce2f607627dad3d95c60c441189875b98e097528f8e23ac0c'], + }), + ('pythran', '0.11.0', { + 'checksums': ['0b2cba712e09f7630879dff69f268460bfe34a6d6000451b47d598558a92a875'], + }), + ('scipy', '1.8.1', { + # compilation with Pythran enabled fails when using Intel compilers, + # see https://github.com/scipy/scipy/issues/14935 + 'prebuildopts': "export SCIPY_USE_PYTHRAN=0 && ", + 'preinstallopts': "export SCIPY_USE_PYTHRAN=0 && ", + 'checksums': ['9e3fb1b0e896f14a85aa9a28d5f755daaeeb54c897b746df7a55ccb02b340f33'], + }), + ('mpi4py', '3.1.3', { + 'checksums': ['f1e9fae1079f43eafdd9f817cdb3fd30d709edc093b5d5dada57a461b2db3008'], + }), + ('numexpr', '2.8.1', { + 'checksums': ['cd779aa44dd986c4ef10163519239602b027be06a527946656207acf1f58113b'], + }), + ('Bottleneck', '1.3.4', { + 'checksums': ['1764a7f4ad58c558723c542847eb367ab0bbb6d880a4e5d5eef30a0ece5cecea'], + }), + ('pandas', '1.4.2', { + 'preinstallopts': """sed -i 's@extra_compile_args = \["-Werror"\]@extra_compile_args = []@g' setup.py && """, + 'checksums': ['92bc1fc585f1463ca827b45535957815b7deb218c549b7c18402c322c7549a12'], + }), + ('mpmath', '1.2.1', { + 'checksums': ['79ffb45cf9f4b101a807595bcb3e72e0396202e0b1d25d689134b48c4216a81a'], + }), + ('deap', '1.3.1', { + 'patches': ['deap-1.3.1_no_2to3.patch'], + 'checksums': [ + '11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f', # deap-1.3.1.tar.gz + '3fa9fac74b0750ac6667371ce0634c797d62d270c76eee9c258b55f4a5a5e689', # deap-1.3.1_no_2to3.patch + ], + }), +] + +sanity_pip_check = True + +moduleclass = 'lang' From 1adbf530c4a4ac59ee6a2c1d0dbc5468bdb97b12 Mon Sep 17 00:00:00 2001 From: Jasper Grimm Date: Mon, 30 May 2022 11:42:32 +0100 Subject: [PATCH 2/2] patches --- .../s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022.05.eb | 2 -- 1 file changed, 2 deletions(-) diff --git a/easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022.05.eb b/easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022.05.eb index 72c168899cd9..b91dbcd6c46c 100644 --- a/easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022.05.eb +++ b/easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022.05.eb @@ -25,14 +25,12 @@ use_pip = True exts_list = [ ('numpy', '1.22.3', { 'patches': [ - 'numpy-1.18.2-mkl.patch', 'numpy-1.20.3_disable_fortran_callback_test.patch', 'numpy-1.22.3_disable-broken-override-test.patch', ], 'sources': ['%(name)s-%(version)s.zip'], 'checksums': [ 'dbc7601a3b7472d559dc7b933b18b4b66f9aa7452c120e87dfb33d02008c8a18', # numpy-1.22.3.zip - 'ea25ad5c0148c1398d282f0424e642fb9815a1a80f4512659b018e2adc378bcf', # numpy-1.18.2-mkl.patch # numpy-1.20.3_disable_fortran_callback_test.patch '44975a944544fd0e771b7e63c32590d257a3713070f8f7fdf60105dc516f1d75', # numpy-1.22.3_disable-broken-override-test.patch