From 7360357a83ce8d11360dbb9bccfa4a1eaf1ca009 Mon Sep 17 00:00:00 2001
From: Jakub Kropacek <jakub.kropacek@vsb.cz>
Date: Mon, 10 Oct 2022 11:15:44 +0200
Subject: [PATCH] 	new file:   p/phono3py/phono3py-2.4.1-conda.eb 	new
 file:   p/phonopy/phonopy-2.16.3-conda.eb

---
 p/phono3py/phono3py-2.4.1-conda.eb | 27 +++++++++++++++++++++++++++
 p/phonopy/phonopy-2.16.3-conda.eb  | 27 +++++++++++++++++++++++++++
 2 files changed, 54 insertions(+)
 create mode 100644 p/phono3py/phono3py-2.4.1-conda.eb
 create mode 100644 p/phonopy/phonopy-2.16.3-conda.eb

diff --git a/p/phono3py/phono3py-2.4.1-conda.eb b/p/phono3py/phono3py-2.4.1-conda.eb
new file mode 100644
index 00000000..cec0517b
--- /dev/null
+++ b/p/phono3py/phono3py-2.4.1-conda.eb
@@ -0,0 +1,27 @@
+# IT4Innovations 2022
+# JK
+
+easyblock = "Conda"
+
+name = 'phono3py'
+version = '2.4.1'
+versionsuffix = '-conda'
+
+homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
+description = """This software calculates phonon-phonon interaction related properties"""
+
+toolchain = SYSTEM
+
+dependencies = [
+    ('Anaconda3', '2022.05'),
+]
+
+requirements = "%(namelower)s"
+channels = ['atztogo']
+
+sanity_check_paths = {
+    'files': ['bin/phono3py', 'bin/phonopy'],
+    'dirs': ['bin', 'lib']
+}
+
+moduleclass = 'phys'
diff --git a/p/phonopy/phonopy-2.16.3-conda.eb b/p/phonopy/phonopy-2.16.3-conda.eb
new file mode 100644
index 00000000..8b8e44d8
--- /dev/null
+++ b/p/phonopy/phonopy-2.16.3-conda.eb
@@ -0,0 +1,27 @@
+# IT4Innovations 2022
+# JK
+
+easyblock = "Conda"
+
+name = 'phonopy'
+version = '2.16.3'
+versionsuffix = '-conda'
+
+homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
+description = """This software calculates phonon-phonon interaction related properties"""
+
+toolchain = SYSTEM
+
+dependencies = [
+    ('Anaconda3', '2022.05'),
+]
+
+requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib"
+channels = ['conda-forge']
+
+sanity_check_paths = {
+    'files': ['bin/phonopy'],
+    'dirs': ['bin', 'lib']
+}
+
+moduleclass = 'phys'