Merge branch 'sa-SciPy-bundle' into '2023'

{lang}[gcccoremkl/11.3.0-2022.1.0] SciPy-bundle v2022.05 w/ Python 3.10.4

See merge request software-team/easybuild!1411

Golden_Repo/e/Eigen/Eigen-3.4.0-GCCcore-11.3.0.eb

+name = 'Eigen'
+version = '3.4.0'
+
+homepage = 'https://eigen.tuxfamily.org'
+description = """Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers,
+ and related algorithms."""
+
+# only includes header files, but requires CMake so using non-system toolchain
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://gitlab.com/libeigen/eigen/-/archive/%(version)s']
+sources = [SOURCELOWER_TAR_BZ2]
+checksums = ['b4c198460eba6f28d34894e3a5710998818515104d6e74e5cc331ce31e46e626']
+
+# using CMake built with GCCcore to avoid relying on the system compiler to build it
+builddependencies = [
+    ('binutils', '2.38'),  # to make CMake compiler health check pass on old systems
+    ('CMake', '3.23.1'),
+]
+
+moduleclass = 'math'

Golden_Repo/g/gcccoremkl/gcccoremkl-11.3.0-2022.1.0.eb

+easyblock = "Toolchain"
+
+local_mklver = '2022.1.0'
+local_comp_version = '11.3.0'
+name = 'gcccoremkl'
+version = '%s-%s' % (local_comp_version, local_mklver)
+
+homepage = '(none)'
+description = """GCCcore compiler toolchain with MKL"""
+
+
+toolchain = SYSTEM
+
+local_comp_name = 'GCCcore'
+local_comp = (local_comp_name, local_comp_version)
+
+# compiler toolchain dependencies
+dependencies = [
+    local_comp,
+    ('binutils', '2.38', '', local_comp),
+    ('imkl', local_mklver, '', SYSTEM),
+]
+
+moduleclass = 'toolchain'

Golden_Repo/h/hypothesis/hypothesis-6.46.7-GCCcore-11.3.0.eb

+easyblock = 'PythonPackage'
+
+name = 'hypothesis'
+version = '6.46.7'
+
+homepage = "https://github.com/HypothesisWorks/hypothesis"
+description = """Hypothesis is an advanced testing library for Python. It lets you write tests which are parametrized
+ by a source of examples, and then generates simple and comprehensible examples that make your tests fail. This lets
+ you find more bugs in your code with less work."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['967009fa561b3a3f8363a73d71923357271c37dc7fa27b30c2d21a1b6092b240']
+
+builddependencies = [('binutils', '2.38')]
+
+dependencies = [('Python', '3.10.4')]
+
+use_pip = True
+download_dep_fail = True
+sanity_pip_check = True
+
+moduleclass = 'tools'

Golden_Repo/p/pybind11/pybind11-2.9.2-GCCcore-11.3.0.eb

+name = 'pybind11'
+version = '2.9.2'
+
+homepage = 'https://pybind11.readthedocs.io'
+description = """pybind11 is a lightweight header-only library that exposes C++ types in Python and vice versa,
+ mainly to create Python bindings of existing C++ code."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = ['https://github.com/pybind/pybind11/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['6bd528c4dbe2276635dc787b6b1f2e5316cf6b49ee3e150264e455a0d68d19c1']
+
+builddependencies = [
+    ('binutils', '2.38'),
+    ('CMake', '3.23.1'),
+    ('Eigen', '3.4.0'),
+]
+dependencies = [('Python', '3.10.4')]
+
+configopts = "-DPYTHON_EXECUTABLE=$EBROOTPYTHON/bin/python"
+
+moduleclass = 'lib'

Golden_Repo/s/SciPy-bundle/SciPy-bundle-2022.05-gcccoremkl-11.3.0-2022.1.0.eb

+easyblock = 'PythonBundle'
+
+name = 'SciPy-bundle'
+version = '2022.05'
+
+homepage = 'https://python.org/'
+description = "Bundle of Python packages for scientific software"
+
+toolchain = {'name': 'gcccoremkl', 'version': '11.3.0-2022.1.0'}
+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',
+            '%(name)s-%(version)s_skip-ppc-long-complex-test.patch',
+        ],
+        'sources': ['%(name)s-%(version)s.zip'],
+        'checksums': [
+            '63571bb7897a584ca3249c86dd01c10bcb5fe4296e3568b2e9c1a55356b6410e',  # numpy-1.21.3.zip
+            # numpy-1.18.2-mkl.patch
+            'dbc7601a3b7472d559dc7b933b18b4b66f9aa7452c120e87dfb33d02008c8a18',  # numpy-1.22.3.zip
+            # numpy-1.20.3_disable_fortran_callback_test.patch
+            '44975a944544fd0e771b7e63c32590d257a3713070f8f7fdf60105dc516f1d75',
+            # numpy-1.22.3_disable-broken-override-test.patch
+            '9c589bb073b28b25ff45eb3c63c57966aa508dd8b318d0b885b6295271e4983c',
+            # numpy-1.22.3_skip-ppc-long-complex-test.patch
+            '058c8128b9f7158b4d5bedb2f52ccc7e1362b99c352c3d10335f98a6194c880e',
+        ],
+    }),
+    ('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'