diff --git a/s/SciPy-bundle/SciPy-bundle-2021.05-OpenMPI-4.1.1.eb b/s/SciPy-bundle/SciPy-bundle-2021.05-OpenMPI-4.1.1.eb new file mode 100644 index 00000000..8f5566d0 --- /dev/null +++ b/s/SciPy-bundle/SciPy-bundle-2021.05-OpenMPI-4.1.1.eb @@ -0,0 +1,67 @@ +# IT4Innovations 2021 +# LK + +easyblock = 'PythonBundle' + +name = 'SciPy-bundle' +version = '2021.05' + +homepage = 'https://python.org/' +description = "Bundle of Python packages for scientific software" + +toolchain = {'name': 'GCC', 'version': '10.2.0'} +toolchainopts = {'pic': True, 'lowopt': True} + +builddependencies = [('hypothesis', '6.13.1', '', ('GCC', '10.2.0'))] + +dependencies = [ + ('Python', '3.8.6'), + ('OpenMPI', '4.1.1'), + ('pybind11', '2.6.0'), # required by scipy +] + +use_pip = True + +# order is important! +exts_list = [ + ('numpy', '1.20.3', { + 'sources': [SOURCE_ZIP], + 'patches': [ + 'numpy-1.20.3_skip-ppc-long-complex-test.patch', + 'numpy-1.20.3_xfail-test-nan.patch', + 'numpy-1.18.2-mkl.patch', + ], + 'checksums': [ + 'e55185e51b18d788e49fe8305fd73ef4470596b33fc2c1ceb304566b99c71a69', # numpy-1.20.3.zip + # numpy-1.20.3_skip-ppc-long-complex-test.patch + '2f9a12e3a352b39076db84a7622fc8f4796abd3cb7f97f71958a495e864659a4', + 'f0ce961f7d79551598e23050d92f46e827e300f6a7e5a6112e58efcc10385d4d', # numpy-1.20.3_xfail-test-nan.patch + ], + }), + ('scipy', '1.6.3', { + 'checksums': ['a75b014d3294fce26852a9d04ea27b5671d86736beb34acdfc05859246260707'], + }), + ('mpi4py', '3.0.3', { + 'checksums': ['012d716c8b9ed1e513fcc4b18e5af16a8791f51e6d1716baccf988ad355c5a1f'], + }), + ('numexpr', '2.7.3', { + 'checksums': ['43616529f9b7d1afc83386f943dc66c4da5e052f00217ba7e3ad8dd1b5f3a825'], + }), + ('Bottleneck', '1.3.2', { + 'checksums': ['20179f0b66359792ea283b69aa16366419132f3b6cf3adadc0c48e2e8118e573'], + }), + ('pandas', '1.2.4', { + 'preinstallopts': """sed -i 's@extra_compile_args = \["-Werror"\]@extra_compile_args = []@g' setup.py && """, + 'checksums': ['649ecab692fade3cbfcf967ff936496b0cfba0af00a55dfaacd82bdda5cb2279'], + }), + ('mpmath', '1.2.1', { + 'checksums': ['79ffb45cf9f4b101a807595bcb3e72e0396202e0b1d25d689134b48c4216a81a'], + }), + ('deap', '1.3.1', { + 'checksums': ['11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f'], + }), +] + +sanity_pip_check = True + +moduleclass = 'lang'