From 88a42ae0cd3b39c46d20e482c7aec51e99a8d9c5 Mon Sep 17 00:00:00 2001
From: easybuild <you@example.com>
Date: Sun, 23 Oct 2022 00:37:38 +0200
Subject: [PATCH] 	new file:   g/grace/grace-5.1.25-gompi-2022a.eb 
 modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb

---
 g/grace/grace-5.1.25-gompi-2022a.eb           | 33 +++++++++++++++++++
 .../QuantumESPRESSO-7.1-NVHPC-21.9.eb         |  4 +++
 2 files changed, 37 insertions(+)
 create mode 100644 g/grace/grace-5.1.25-gompi-2022a.eb

diff --git a/g/grace/grace-5.1.25-gompi-2022a.eb b/g/grace/grace-5.1.25-gompi-2022a.eb
new file mode 100644
index 00000000..a563313f
--- /dev/null
+++ b/g/grace/grace-5.1.25-gompi-2022a.eb
@@ -0,0 +1,33 @@
+# IT4Innovations 2022
+# JK
+
+easyblock = 'ConfigureMake'
+
+name = 'grace'
+version = '5.1.25'
+
+homepage = 'https://plasma-gate.weizmann.ac.il/Grace/'
+description = """Grace is a WYSIWYG 2D plotting tool for X Windows System and Motif."""
+
+source_urls = ['https://plasma-gate.weizmann.ac.il/pub/grace/src/stable/']
+sources = [SOURCE_TAR_GZ]
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+# je treba udelat novy i s dependencemi
+dependencies = [
+    ('motif', '2.3.8'),
+#    ('netCDF', '4.9.0'),
+]
+
+runtest = 'tests'
+
+# we also need to run make links right before or after make install.
+installopts = 'links'
+
+sanity_check_paths = {
+    'files': ['bin/xmgrace'],
+    'dirs': [],
+}
+
+moduleclass = 'vis'
diff --git a/q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb b/q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
index 338b58d2..80be398f 100644
--- a/q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
+++ b/q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
@@ -69,4 +69,8 @@ parallel = 1
 
 #skipsteps = ['sanitycheck']
 
+modluafooter = """
+add_property('arch', 'gpu')
+"""
+
 moduleclass = 'chem'