{lang}[gfbf/2022b,foss/2022b] SciPy-bundle v2023.02, mpi4py v3.1.4, pybind11 v2.10.3, hypothesis v6.68.2 w/ Python 3.10.8

easybuild/easyconfigs/e/Eigen/Eigen-3.4.0-GCCcore-12.2.0.eb

@@ -0,0 +1,21 @@
+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': '12.2.0'}
+
+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', '2.39'),  # to make CMake compiler health check pass on old systems
+    ('CMake', '3.24.3'),
+]
+
+moduleclass = 'math'

easybuild/easyconfigs/g/gfbf/gfbf-2022.10.eb

@@ -0,0 +1,20 @@
+easyblock = 'Toolchain'
+
+name = 'gfbf'
+version = '2022.10'
+
+homepage = '(none)'
+description = """GNU Compiler Collection (GCC) based compiler toolchain, including
+ FlexiBLAS (BLAS and LAPACK support) and (serial) FFTW."""
+
+toolchain = SYSTEM
+
+local_gccver = '12.2.0'
+
+dependencies = [
+    ('GCC', local_gccver),
+    ('FlexiBLAS', '3.2.1', '', ('GCC', local_gccver)),
+    ('FFTW', '3.3.10', '', ('GCC', local_gccver)),
+]
+
+moduleclass = 'toolchain'

easybuild/easyconfigs/h/hypothesis/hypothesis-6.59.0-GCCcore-12.2.0.eb

@@ -0,0 +1,24 @@
+easyblock = 'PythonPackage'
+
+name = 'hypothesis'
+version = '6.59.0'
+
+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': '12.2.0'}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['af05e24b123c9413b8752bbf822105dbb112f56456fb240723d7f410eebf78bb']
+
+builddependencies = [('binutils', '2.39')]
+
+dependencies = [('Python', '3.10.8')]
+
+use_pip = True
+download_dep_fail = True
+sanity_pip_check = True
+
+moduleclass = 'tools'

easybuild/easyconfigs/m/mpi4py/mpi4py-3.1.4-foss-2022.10.eb

@@ -0,0 +1,25 @@
+easyblock = 'PythonPackage'
+
+name = 'mpi4py'
+version = '3.1.4'
+
+homepage = 'https://github.com/mpi4py/mpi4py'
+description = """MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for
+ the Python programming language, allowing any Python program to exploit multiple processors."""
+
+toolchain = {'name': 'foss', 'version': '2022.10'}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['17858f2ebc623220d0120d1fa8d428d033dde749c4bc35b33d81a66ad7f93480']
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('SciPy-bundle', '2022.11'),
+]
+
+download_dep_fail = True
+use_pip = True
+
+sanity_pip_check = True
+
+moduleclass = 'lib'

easybuild/easyconfigs/p/pybind11/pybind11-2.10.1-GCCcore-12.2.0.eb

@@ -0,0 +1,23 @@
+name = 'pybind11'
+version = '2.10.1'
+
+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': '12.2.0'}
+
+source_urls = ['https://github.com/pybind/pybind11/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['111014b516b625083bef701df7880f78c2243835abdb263065b6b59b960b6bad']
+
+builddependencies = [
+    ('binutils', '2.39'),
+    ('CMake', '3.24.3'),
+    ('Eigen', '3.4.0'),
+]
+dependencies = [('Python', '3.10.8')]
+
+configopts = "-DPYTHON_EXECUTABLE=$EBROOTPYTHON/bin/python"
+
+moduleclass = 'lib'

easybuild/easyconfigs/s/SciPy-bundle/SciPy-bundle-2022.11-gfbf-2022.10.eb

@@ -0,0 +1,74 @@
+easyblock = 'PythonBundle'
+
+name = 'SciPy-bundle'
+version = '2022.11'
+
+homepage = 'https://python.org/'
+description = "Bundle of Python packages for scientific software"
+
+toolchain = {'name': 'gfbf', 'version': '2022.10'}
+toolchainopts = {'pic': True, 'lowopt': True}
+
+builddependencies = [
+    ('hypothesis', '6.59.0'),
+    ('UnZip', '6.0'),
+    ('meson-python', '0.11.0'),
+]
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('pybind11', '2.10.1'),  # required by scipy
+]
+
+use_pip = True
+
+# order is important!
+exts_list = [
+    ('numpy', '1.23.5', {
+        'patches': [
+            'numpy-1.22.3_disable-broken-override-test.patch',
+        ],
+        'checksums': [
+            {'numpy-1.23.5.tar.gz': '1b1766d6f397c18153d40015ddfc79ddb715cabadc04d2d228d4e5a8bc4ded1a'},
+            {'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', '0.12.0', {
+        'checksums': ['eff3dd0d3eebe57372f0d14f82985525e9bcdfb5b1d1010e1932cf9207060f9f'],
+    }),
+    ('scipy', '1.9.3', {
+        'checksums': ['fbc5c05c85c1a02be77b1ff591087c83bc44579c6d2bd9fb798bb64ea5e1a027'],
+        'preinstallopts': "export PATH=%(installdir)s/bin:$PATH && ",
+    }),
+    ('numexpr', '2.8.4', {
+        'checksums': ['d5432537418d18691b9115d615d6daa17ee8275baef3edf1afbbf8bc69806147'],
+    }),
+    ('Bottleneck', '1.3.5', {
+        'checksums': ['2c0d27afe45351f6f421893362621804fa7dea14fe29a78eaa52d4323f646de7'],
+    }),
+    ('pandas', '1.5.2', {
+        'checksums': ['220b98d15cee0b2cd839a6358bd1f273d0356bf964c1a1aeb32d47db0215488b'],
+        # make sure $PANDAS_CI is not set to 1, since that implies using -Werror
+        'preinstallopts': "export PANDAS_CI=0 && ",
+    }),
+    ('mpmath', '1.2.1', {
+        'checksums': ['79ffb45cf9f4b101a807595bcb3e72e0396202e0b1d25d689134b48c4216a81a'],
+    }),
+    ('deap', '1.3.3', {
+        'checksums': ['8772f1b0fff042d5e516b0aebac2c706243045aa7d0de8e0b8658f380181cf31'],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'lang'