new file: p/phonopy/phonopy-1.9.1-conda.eb

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'