Merge branch 'it4i-salomon'

p/PyYAML/PyYAML-5.3.1-Py-3.7.eb

@@ -0,0 +1,30 @@
+# JH 2019
+
+easyblock = 'PythonPackage'
+
+name = 'PyYAML'
+version = '5.3.1'
+
+homepage = "https://github.com/yaml/pyyaml"
+description = """PyYAML is a YAML parser and emitter for the Python programming language."""
+
+toolchain = {'name': 'Py', 'version': '3.7'}
+
+source_urls = [PYPI_SOURCE]
+sources = [SOURCE_TAR_GZ]
+
+dependencies = [
+    ('libyaml', '0.2.2', '', True),
+]
+
+use_pip = True
+download_dep_fail = True
+
+options = {'modulename': 'yaml'}
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib/python3.7/site-packages'],
+}
+
+moduleclass = 'lib'

p/phonopy/phonopy-2.6.1-intel-2020a-Py-3.7.eb

@@ -0,0 +1,37 @@
+# JH 2020
+
+easyblock = 'PythonPackage'
+
+name = 'phonopy'
+version = '2.6.1'
+versionsuffix = '-Py-3.7'
+
+homepage = 'http://atztogo.github.io/phonopy/'
+description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+
+source_urls = ['https://github.com/phonopy/phonopy/archive/']
+sources = ["v%(version)s.tar.gz"]
+
+dependencies = [
+    ('Py', '3.7', '', True),
+    ('matplotlib', '3.1.0', versionsuffix, True),
+    ('wheel', '0.34.2', versionsuffix, True),
+#    ('lxml', '4.3.3', '-Py-3.7', True),
+    ('PyYAML', '5.3.1', versionsuffix, True),
+#    ('h5py', '2.9.0', '-Py-3.7', True),
+]
+
+# required because we're building a Python package using Intel compilers on top of Python built with GCC
+check_ldshared = True
+
+download_dep_fail = True
+use_pip = True
+
+sanity_check_paths = {
+    'files': ['bin/phonopy'],
+    'dirs': ['lib/python3.7/site-packages'],
+}
+
+moduleclass = 'python'

s/Score-P/Score-P-6.0-intel-2020a.eb

@@ -20,7 +20,7 @@ builddependencies = [
 ]
 
 dependencies = [
-    ('Cube', '4.4.4'),
+#   ('Cube', '4.4.4'),    # internal build
     ('OPARI2', '2.0.5'),
     ('OTF2', '2.2'),
     ('PAPI', '5.7.0'),

w/wheel/wheel-0.34.2-Py-3.7.eb

@@ -0,0 +1,20 @@
+# IT4Innovations 2020
+
+easyblock = "PythonPackage"
+name = 'wheel'
+version = '0.34.2'
+
+homepage = 'https://pypi.python.org/pypi/wheel'
+description = 'A built-package format for Python.'
+
+toolchain = {'name': 'Py', 'version': '3.7'}
+
+source_urls = [PYPI_SOURCE]
+sources = [SOURCE_TAR_GZ]
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib/python3.7/site-packages/%(name)s-%(version)s-py3.7.egg'],
+}
+
+moduleclass = 'python'