new file: s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022a.eb

new file:   v/VTune/VTune-2022.2.0-intel-2021b.eb

s/SciPy-bundle/SciPy-bundle-2022.05-foss-2022a.eb

@@ -0,0 +1,89 @@
+# IT4Innovations 2022
+# JK
+
+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-1.20.3_disable_fortran_callback_test.patch',
+            'numpy-1.22.3_disable-broken-override-test.patch',
+        ],
+        'sources': ['%(name)s-%(version)s.zip'],
+        'checksums': [
+            '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',
+        ],
+    }),
+    ('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'

v/VTune/VTune-2022.2.0-intel-2021b.eb

@@ -0,0 +1,46 @@
+# IT4Innovations 2022
+# JK
+
+name = 'VTune'
+version = '2022.2.0'
+
+homepage = 'https://software.intel.com/en-us/vtune'
+description = """Intel VTune Amplifier XE is the premier performance profiler for C, C++, C#, Fortran,
+ Assembly and Java."""
+
+toolchain = {'name': 'intel', 'version': '2021b'}
+
+# By downloading, you accept the Intel End User License Agreement
+# (https://software.intel.com/content/www/us/en/develop/articles/end-user-license-agreement.html)
+# accept_eula = True
+source_urls = ['https://registrationcenter-download.intel.com/akdlm/irc_nas/18602/']
+sources = ['l_oneapi_vtune_p_%(version)s.172_offline.sh']
+checksums = ['d9f92ab6486a02c8ba226c98893492a54eda706d9edd3206a6b6143bfbc97195']
+
+dependencies = [
+    ('Pango', '1.48.8'),
+    ('X11', '20210802'),
+    ('GTK3', '3.24.31'),
+]
+
+#dontcreateinstalldir = 'True'
+#license_file = '/apps/licenses/intel/license.lic'
+
+# Do necessary post-install steps to build VTune kernel modules
+postinstallcmds = [
+    'mkdir %(installdir)s/modules',
+    'cd %(installdir)s/vtune_profiler/sepdk/src/ && '
+#    './build-driver --install-dir=%(installdir)s/modules --non-interactive',
+#    'sed "s|DEFAULT_GROUP=vtune|DEFAULT_GROUP=wheel|" %(installdir)s/modules/pax/insmod-pax -i',
+#    'sed "s|DEFAULT_GROUP=vtune|DEFAULT_GROUP=wheel|" %(installdir)s/modules/vtsspp/insmod-vtsspp -i',
+#    'sed "s|DEFAULT_GROUP=vtune|DEFAULT_GROUP=wheel|" %(installdir)s/modules/insmod-sep -i',
+]
+
+#sanity_check_paths = {
+#    'files': ['%(namelower)s/%(version)s/bin64/amplxe-perf'],
+#    'dirs': ['%(namelower)s/%(version)s/bin64',
+#             '%(namelower)s/%(version)s/lib64',
+#             '%(namelower)s/%(version)s/include/intel64']
+#}
+
+moduleclass = 'tools'