From a9d7708d99dcf86667a87747895cad7c04543864 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= <lukas.krupcik@vsb.cz>
Date: Mon, 20 Aug 2018 12:56:20 +0200
Subject: [PATCH] 	new file:   p/phono3py/phono3py-1.13.3-Py-2.7.eb 
 new file:   p/phono3py/phono3py-1.13.3-Py-3.6.eb 	new file:  
 p/phonopy/phonopy-1.13.2-Py-3.6.eb 	new file:  
 p/phonopy/phonopy-1.13.2.66-Py-2.7.eb

Former-commit-id: c8ca673dad4b43362bb1d09be5d169ffc2710486
---
 p/phono3py/phono3py-1.13.3-Py-2.7.eb  | 30 +++++++++++++++++++++++++++
 p/phono3py/phono3py-1.13.3-Py-3.6.eb  | 30 +++++++++++++++++++++++++++
 p/phonopy/phonopy-1.13.2-Py-3.6.eb    | 25 ++++++++++++++++++++++
 p/phonopy/phonopy-1.13.2.66-Py-2.7.eb | 25 ++++++++++++++++++++++
 4 files changed, 110 insertions(+)
 create mode 100644 p/phono3py/phono3py-1.13.3-Py-2.7.eb
 create mode 100644 p/phono3py/phono3py-1.13.3-Py-3.6.eb
 create mode 100644 p/phonopy/phonopy-1.13.2-Py-3.6.eb
 create mode 100644 p/phonopy/phonopy-1.13.2.66-Py-2.7.eb

diff --git a/p/phono3py/phono3py-1.13.3-Py-2.7.eb b/p/phono3py/phono3py-1.13.3-Py-2.7.eb
new file mode 100644
index 00000000..dda2c50c
--- /dev/null
+++ b/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'
diff --git a/p/phono3py/phono3py-1.13.3-Py-3.6.eb b/p/phono3py/phono3py-1.13.3-Py-3.6.eb
new file mode 100644
index 00000000..cc9cc748
--- /dev/null
+++ b/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'
diff --git a/p/phonopy/phonopy-1.13.2-Py-3.6.eb b/p/phonopy/phonopy-1.13.2-Py-3.6.eb
new file mode 100644
index 00000000..126e3a06
--- /dev/null
+++ b/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'
diff --git a/p/phonopy/phonopy-1.13.2.66-Py-2.7.eb b/p/phonopy/phonopy-1.13.2.66-Py-2.7.eb
new file mode 100644
index 00000000..4267083c
--- /dev/null
+++ b/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'