Merge branch 'it4i-salomon'

Former-commit-id: 09d92c9df23d035e324a66d047576b8bedc88916

p/phono3py/phono3py-1.13.3-Py-2.7.eb

@@ -0,0 +1,30 @@
+# IT4Innovations 2018
+
+easyblock = "PythonPackage"
+
+name = 'phono3py'
+version = '1.13.3'
+
+homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
+description = """This software calculates phonon-phonon interaction related properties"""
+
+toolchain = {'name': 'Py', 'version': '2.7'}
+
+source_urls = ['https://github.com/atztogo/phono3py/archive/']
+sources = ['v%(version)s.tar.gz']
+
+prebuildopts = 'python setup.py build #' # notice the hash hack to override setup.py
+preinstallopts = 'python setup.py install --prefix=%(installdir)s #' # another hack
+skipsteps = ['test']
+options = {'modulename': 'phonopy'}
+
+dependencies = [
+    ('OpenBLAS', '0.2.19', '-GCC-6.3.0-2.27-LAPACK-3.7.0', True),
+    ('numpy', '1.13.3'),
+    ('h5py', '2.7.1'),
+    ('matplotlib', '2.1.1'),
+    ('PyYAML', '3.12'),
+    ('phonopy', '1.13.2'),
+]
+
+moduleclass = 'phys'

p/phono3py/phono3py-1.13.3-Py-3.6.eb

@@ -0,0 +1,30 @@
+# IT4Innovations 2018
+
+easyblock = "PythonPackage"
+
+name = 'phono3py'
+version = '1.13.3'
+
+homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
+description = """This software calculates phonon-phonon interaction related properties"""
+
+toolchain = {'name': 'Py', 'version': '3.6'}
+
+source_urls = ['https://github.com/atztogo/phono3py/archive/']
+sources = ['v%(version)s.tar.gz']
+
+prebuildopts = 'python setup.py build #' # notice the hash hack to override setup.py
+preinstallopts = 'python setup.py install --prefix=%(installdir)s #' # another hack
+skipsteps = ['test']
+options = {'modulename': 'phonopy'}
+
+dependencies = [
+    ('OpenBLAS', '0.2.19', '-GCC-6.3.0-2.27-LAPACK-3.7.0', True),
+    ('numpy', '1.13.3'),
+    ('h5py', '2.7.1'),
+    ('matplotlib', '2.1.1'),
+    ('PyYAML', '3.12'),
+    ('phonopy', '1.13.2'),
+]
+
+moduleclass = 'phys'

p/phonopy/phonopy-1.13.2-Py-3.6.eb

@@ -0,0 +1,25 @@
+# IT4Innovations 2018
+
+easyblock = 'PythonPackage'
+
+name = 'phonopy'
+version = '1.13.2'
+
+homepage = 'https://atztogo.github.io/phonopy'
+description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""
+
+toolchain = {'name': 'Py', 'version': '3.6'}
+
+source_urls = [PYPI_SOURCE]
+sources = [SOURCE_TAR_GZ]
+
+dependencies = [
+    ('matplotlib', '2.1.1'),
+    ('lxml', '4.1.1'),
+    ('PyYAML', '3.12'),
+    ('numpy', '1.13.3'),
+    ('h5py', '2.7.1'),
+    ('scipy', '1.0.0')
+]
+
+moduleclass = 'python'

p/phonopy/phonopy-1.13.2.66-Py-2.7.eb

@@ -0,0 +1,25 @@
+# IT4Innovations 2018
+
+easyblock = 'PythonPackage'
+
+name = 'phonopy'
+version = '1.13.2'
+
+homepage = 'https://atztogo.github.io/phonopy'
+description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""
+
+toolchain = {'name': 'Py', 'version': '2.7'}
+
+source_urls = [PYPI_SOURCE]
+sources = [SOURCE_TAR_GZ]
+
+dependencies = [
+    ('matplotlib', '2.1.1'),
+    ('lxml', '4.1.1'),
+    ('PyYAML', '3.12'),
+    ('numpy', '1.13.3'),
+    ('h5py', '2.7.1'),
+    ('scipy', '1.0.0')
+]
+
+moduleclass = 'python'