From bec1bb4209ee9a9f5b592b3e312352ec69c726a2 Mon Sep 17 00:00:00 2001
From: Lukas Krupcik <lukas.krupcik@vsb.cz>
Date: Mon, 6 Nov 2023 10:42:56 +0100
Subject: [PATCH] 	new file:   p/phonopy/phonopy-1.9.1-conda.eb

---
 p/phonopy/phonopy-1.9.1-conda.eb | 27 +++++++++++++++++++++++++++
 1 file changed, 27 insertions(+)
 create mode 100644 p/phonopy/phonopy-1.9.1-conda.eb

diff --git a/p/phonopy/phonopy-1.9.1-conda.eb b/p/phonopy/phonopy-1.9.1-conda.eb
new file mode 100644
index 00000000..df073be0
--- /dev/null
+++ b/p/phonopy/phonopy-1.9.1-conda.eb
@@ -0,0 +1,27 @@
+# IT4Innovations
+# LK 2023
+
+easyblock = "Conda"
+
+name = 'phonopy'
+version = '1.9.1'
+versionsuffix = '-conda'
+
+homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
+description = """This software calculates phonon-phonon interaction related properties"""
+
+toolchain = SYSTEM
+
+dependencies = [
+    ('Anaconda3', '2023.07-2'),
+]
+
+requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib"
+channels = ['conda-forge']
+
+sanity_check_paths = {
+    'files': ['bin/phonopy'],
+    'dirs': ['bin', 'lib']
+}
+
+moduleclass = 'phys'