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

@@ -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'

q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb

@@ -69,4 +69,8 @@ parallel = 1
 
 #skipsteps = ['sanitycheck']
 
+modluafooter = """
+add_property('arch', 'gpu')
+"""
+
 moduleclass = 'chem'