diff --git a/Golden_Repo/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022a.eb b/Golden_Repo/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022a.eb new file mode 100644 index 0000000000000000000000000000000000000000..b16af43ec53948ae3eabd4dd92bcaa5cabf0602d --- /dev/null +++ b/Golden_Repo/s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022a.eb @@ -0,0 +1,92 @@ +easyblock = 'PythonBundle' + +name = 'SciPy-bundle' +version = '2022.05' + +homepage = 'https://python.org/' +description = "Bundle of Python packages for scientific software" + +toolchain = {'name': 'foss', 'version': '2022a'} +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': [ + 'dbc7601a3b7472d559dc7b933b18b4b66f9aa7452c120e87dfb33d02008c8a18', # numpy-1.22.3.zip + # numpy-1.18.2-mkl.patch + 'ea25ad5c0148c1398d282f0424e642fb9815a1a80f4512659b018e2adc378bcf', + # 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' diff --git a/Golden_Repo/s/SciPy-bundle/numpy-1.18.2-mkl.patch b/Golden_Repo/s/SciPy-bundle/numpy-1.18.2-mkl.patch new file mode 100644 index 0000000000000000000000000000000000000000..ca3df86ffe242cc37dbb385c7aa27f05b2ba45d1 --- /dev/null +++ b/Golden_Repo/s/SciPy-bundle/numpy-1.18.2-mkl.patch @@ -0,0 +1,57 @@ +fix issues in numpy distutils pkg w.r.t. detecting BLAS/LAPACK libraries +by Kenneth Hoste (HPC-UGent) + +Remade against numpy-1.18.2, 20200317, Åke Sandgren (HPC2N) +diff -ru numpy-1.18.2.orig/numpy/distutils/fcompiler/__init__.py numpy-1.18.2/numpy/distutils/fcompiler/__init__.py +--- numpy-1.18.2.orig/numpy/distutils/fcompiler/__init__.py 2020-03-09 17:18:24.000000000 +0100 ++++ numpy-1.18.2/numpy/distutils/fcompiler/__init__.py 2020-03-17 20:05:39.284278141 +0100 +@@ -637,7 +637,10 @@ + return options + + def library_option(self, lib): +- return "-l" + lib ++ if lib[0]=='-': ++ return lib ++ else: ++ return "-l" + lib + def library_dir_option(self, dir): + return "-L" + dir + +diff -ru numpy-1.18.2.orig/numpy/distutils/system_info.py numpy-1.18.2/numpy/distutils/system_info.py +--- numpy-1.18.2.orig/numpy/distutils/system_info.py 2020-03-09 17:18:24.000000000 +0100 ++++ numpy-1.18.2/numpy/distutils/system_info.py 2020-03-17 20:05:39.284278141 +0100 +@@ -831,7 +831,7 @@ + if is_string(default): + return [default] + return default +- return [b for b in [a.strip() for a in libs.split(',')] if b] ++ return [b for b in [a.strip().replace(':',',') for a in libs.split(',')] if b] + + def get_libraries(self, key='libraries'): + if hasattr(self, '_lib_names'): +@@ -918,6 +918,9 @@ + # make sure we preserve the order of libs, as it can be important + found_dirs, found_libs = [], [] + for lib in libs: ++ if lib[0] == '-': ++ found_libs.append(lib) ++ continue + for lib_dir in lib_dirs: + found_lib = self._find_lib(lib_dir, lib, exts) + if found_lib: +diff -ru numpy-1.18.2.orig/numpy/distutils/unixccompiler.py numpy-1.18.2/numpy/distutils/unixccompiler.py +--- numpy-1.18.2.orig/numpy/distutils/unixccompiler.py 2020-03-09 17:18:24.000000000 +0100 ++++ numpy-1.18.2/numpy/distutils/unixccompiler.py 2020-03-17 20:05:39.284278141 +0100 +@@ -137,3 +137,12 @@ + + replace_method(UnixCCompiler, 'create_static_lib', + UnixCCompiler_create_static_lib) ++ ++def UnixCCompiler_library_option(self, lib): ++ if lib[0]=='-': ++ return lib ++ else: ++ return "-l" + lib ++ ++replace_method(UnixCCompiler, 'library_option', ++ UnixCCompiler_library_option) diff --git a/acls.yml b/acls.yml index b1a7aeb9109a98102c88d572bb789e798718c928..72b55d79c58f866014da48f1b7649589eca5da89 100644 --- a/acls.yml +++ b/acls.yml @@ -813,6 +813,9 @@ software: - name: 'scikit-uplift' owner: 'strube1' base: True + - name: 'SciPy-Bundle' + owner: 'strube1' + base: True - name: 'SciPy-Stack' owner: 'strube1' base: True diff --git a/bin/gcc11ize.py b/bin/gcc11ize.py index 5983651c47d3dc54ac44773c854d8803477b5817..e5ecaea5c5001e00ce78755e2dce211500b7c789 100755 --- a/bin/gcc11ize.py +++ b/bin/gcc11ize.py @@ -263,6 +263,7 @@ releases = { 'Rust': ['1.47.0', '1.54.0'], 'scikit': ['2021', '2022'], 'SciPy-Stack': ['2021', '2021b'], + 'SciPy-bundle': ['2021.10', '22.05'], 'Shapely': ['1.7.1', '1.8.0'], 'SuiteSparse': ['5.7.1', '5.10.1'], 'snappy': ['1.1.8', '1.1.9'],