diff --git a/n/numpy/numpy-1.18.1-Py-3.6.eb b/n/numpy/numpy-1.18.1-Py-3.6.eb index 709a15e5..ead1198d 100644 --- a/n/numpy/numpy-1.18.1-Py-3.6.eb +++ b/n/numpy/numpy-1.18.1-Py-3.6.eb @@ -13,9 +13,9 @@ toolchain = {'name': 'Py', 'version': '3.6'} source_urls = ['https://github.com/numpy/numpy/releases/download/v%(version)s'] sources = [SOURCE_TAR_GZ] -local_patch = [ - 'numpy-1.8.1-mkl.local_patch', - 'numpy-1.11.0-sse42.local_patch' +patch = [ + 'numpy-1.8.1-mkl.patch', + 'numpy-1.11.0-sse42.patch' ] dependencies = [ diff --git a/n/numpy/numpy-1.18.1-Py-3.7.eb b/n/numpy/numpy-1.18.1-Py-3.7.eb index 94a6b1f5..10cb041b 100644 --- a/n/numpy/numpy-1.18.1-Py-3.7.eb +++ b/n/numpy/numpy-1.18.1-Py-3.7.eb @@ -13,9 +13,9 @@ toolchain = {'name': 'Py', 'version': '3.7'} source_urls = ['https://github.com/numpy/numpy/releases/download/v%(version)s'] sources = [SOURCE_TAR_GZ] -local_patch = [ - 'numpy-1.8.1-mkl.local_patch', - 'numpy-1.11.0-sse42.local_patch' +patch = [ + 'numpy-1.8.1-mkl.patch', + 'numpy-1.11.0-sse42.patch' ] dependencies = [ diff --git a/n/numpy/numpy-1.18.2-mkl.patch b/n/numpy/numpy-1.18.2-mkl.patch new file mode 100644 index 00000000..ca3df86f --- /dev/null +++ b/n/numpy/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/n/numpy/numpy-1.18.3-intel-2020a-Python-3.8.2.eb b/n/numpy/numpy-1.18.3-intel-2020a-Python-3.8.2.eb new file mode 100644 index 00000000..425f7306 --- /dev/null +++ b/n/numpy/numpy-1.18.3-intel-2020a-Python-3.8.2.eb @@ -0,0 +1,29 @@ +# JH 2020 + +#easyblock = 'PythonPackage' + +name = 'numpy' +version = '1.18.3' +versionsuffix = '-Python-%(pyver)s' + +homepage = 'http://www.numpy.org' +description = """NumPy is the fundamental package needed for scientific local_computing with Python.""" + +toolchain = {'name': 'intel', 'version': '2020a'} + +source_urls = ['https://github.com/numpy/numpy/releases/download/v%(version)s'] +sources = [SOURCE_TAR_GZ] + +patches = [ + 'numpy-1.18.2-mkl.patch', + # 'numpy-1.11.0-sse42.patch' +] + +dependencies = [ + ('Python', '3.8.2'), +# ('libffi', '3.3'), #RT#22207 +] + +sanity_pip_check = True + +moduleclass = 'math' diff --git a/s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020a-Python-3.8.2-LK.eb b/s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020a-Python-3.8.2-LK.eb new file mode 100644 index 00000000..8ab8c6b2 --- /dev/null +++ b/s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020a-Python-3.8.2-LK.eb @@ -0,0 +1,57 @@ +# JH 2020 + +easyblock = 'PythonBundle' + +name = 'SciPy-bundle' +version = '2020.03' +versionsuffix = '-Python-3.8.2-LK' + +homepage = 'https://python.org/' +description = "Bundle of Python packages for scientific software" + +toolchain = {'name': 'intel', 'version': '2020a'} +toolchainopts = {'pic': True, 'lowopt': True} + +dependencies = [ + ('Python', '3.8.2'), + ('pybind11', '2.4.3', '-Python-3.8.2'), # required by scipy +] + +use_pip = True + +exts_default_options = {'source_urls': [PYPI_SOURCE]} + +# order is important! +exts_list = [ + ('numpy', '1.18.5', { + 'patches': ['numpy-1.18.2-mkl.patch'], + 'source_tmpl': '%(name)s-%(version)s.zip', +# 'checksums': [ +# 'e46e2384209c91996d5ec16744234d1c906ab79a701ce1a26155c9ec890b8dc8', # numpy-1.18.2.zip +# 'ea25ad5c0148c1398d282f0424e642fb9815a1a80f4512659b018e2adc378bcf', # numpy-1.18.2-mkl.patch +# ], + }), + ('scipy', '1.4.1', { + 'patches': ['scipy-1.4.1-fix-pthread.patch'], + 'checksums': [ + 'dee1bbf3a6c8f73b6b218cb28eed8dd13347ea2f87d572ce19b289d6fd3fbc59', # scipy-1.4.1.tar.gz + '4e2162a93caddce63a1aa2dfb6c181774a4f6615950e1d60c54bb4308fee3bb3', # scipy-1.4.1-fix-pthread.patch + ], + }), + ('mpi4py', '3.0.3', { + 'checksums': ['012d716c8b9ed1e513fcc4b18e5af16a8791f51e6d1716baccf988ad355c5a1f'], + }), + ('pandas', '1.0.3', { + 'checksums': ['32f42e322fb903d0e189a4c10b75ba70d90958cc4f66a1781ed027f1a1d14586'], + }), + ('mpmath', '1.1.0', { + 'checksums': ['fc17abe05fbab3382b61a123c398508183406fa132e0223874578e20946499f6'], + }), + ('deap', '1.3.1', { + 'checksums': ['11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f'], + }), +] + +sanity_pip_check = True + +moduleclass = 'lang' diff --git a/s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020a-Python-3.8.2.eb b/s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020a-Python-3.8.2.eb new file mode 100644 index 00000000..02e3cae1 --- /dev/null +++ b/s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020a-Python-3.8.2.eb @@ -0,0 +1,58 @@ +# JH 2020 + +easyblock = 'PythonBundle' + +name = 'SciPy-bundle' +version = '2020.03' +versionsuffix = '-Python-%(pyver)s' + +homepage = 'https://python.org/' +description = "Bundle of Python packages for scientific software" + +toolchain = {'name': 'intel', 'version': '2020a'} +toolchainopts = {'pic': True, 'lowopt': True} + +dependencies = [ + ('Python', '3.8.2'), + ('pybind11', '2.4.3', versionsuffix), # required by scipy +] + +use_pip = True + +exts_default_options = {'source_urls': [PYPI_SOURCE]} +default_easyblock = 'PythonPackage' + +# order is important! +exts_list = [ + ('numpy', '1.18.3', { + 'patches': ['numpy-1.18.2-mkl.patch'], + 'source_tmpl': '%(name)s-%(version)s.zip', + 'checksums': [ + 'e46e2384209c91996d5ec16744234d1c906ab79a701ce1a26155c9ec890b8dc8', # numpy-1.18.2.zip + 'ea25ad5c0148c1398d282f0424e642fb9815a1a80f4512659b018e2adc378bcf', # numpy-1.18.2-mkl.patch + ], + }), + ('scipy', '1.4.1', { + 'patches': ['scipy-1.4.1-fix-pthread.patch'], + 'checksums': [ + 'dee1bbf3a6c8f73b6b218cb28eed8dd13347ea2f87d572ce19b289d6fd3fbc59', # scipy-1.4.1.tar.gz + '4e2162a93caddce63a1aa2dfb6c181774a4f6615950e1d60c54bb4308fee3bb3', # scipy-1.4.1-fix-pthread.patch + ], + }), + ('mpi4py', '3.0.3', { + 'checksums': ['012d716c8b9ed1e513fcc4b18e5af16a8791f51e6d1716baccf988ad355c5a1f'], + }), + ('pandas', '1.0.3', { + 'checksums': ['32f42e322fb903d0e189a4c10b75ba70d90958cc4f66a1781ed027f1a1d14586'], + }), + ('mpmath', '1.1.0', { + 'checksums': ['fc17abe05fbab3382b61a123c398508183406fa132e0223874578e20946499f6'], + }), + ('deap', '1.3.1', { + 'checksums': ['11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f'], + }), +] + +sanity_pip_check = True + +moduleclass = 'lang'