From 2d321a93a5dd59a57d18537fb25aa23f7b86fb0f Mon Sep 17 00:00:00 2001
From: Lukas Krupcik <lukas.krupcik@vsb.cz>
Date: Mon, 25 Sep 2023 09:24:37 +0200
Subject: [PATCH] new file: p/phono3py/phono3py-2.7.0-conda.eb
modified: p/phonopy/phonopy-2.20.0-conda.eb
---
p/phono3py/phono3py-2.7.0-conda.eb | 27 +++++++++++++++++++++++++++
p/phonopy/phonopy-2.20.0-conda.eb | 2 +-
2 files changed, 28 insertions(+), 1 deletion(-)
create mode 100644 p/phono3py/phono3py-2.7.0-conda.eb
diff --git a/p/phono3py/phono3py-2.7.0-conda.eb b/p/phono3py/phono3py-2.7.0-conda.eb
new file mode 100644
index 00000000..ce06cd17
--- /dev/null
+++ b/p/phono3py/phono3py-2.7.0-conda.eb
@@ -0,0 +1,27 @@
+# IT4Innovations
+# LK 2023
+
+easyblock = "Conda"
+
+name = 'phono3py'
+version = '2.7.0'
+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"
+channels = ['atztogo']
+
+sanity_check_paths = {
+ 'files': ['bin/phono3py', 'bin/phonopy'],
+ 'dirs': ['bin', 'lib']
+}
+
+moduleclass = 'phys'
diff --git a/p/phonopy/phonopy-2.20.0-conda.eb b/p/phonopy/phonopy-2.20.0-conda.eb
index b7a68886..dab57b42 100644
--- a/p/phonopy/phonopy-2.20.0-conda.eb
+++ b/p/phonopy/phonopy-2.20.0-conda.eb
@@ -13,7 +13,7 @@ description = """This software calculates phonon-phonon interaction related prop
toolchain = SYSTEM
dependencies = [
- ('Anaconda3', '2022.05'),
+ ('Anaconda3', '2023.07-2'),
]
requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib"