new file: m/motif/motif-2.3.8-GCCcore-11.3.0.eb

modified:   q/QuantumESPRESSO/QuantumESPRESSO-7.1-NVHPC-21.9.eb
	modified:   u/UCX/UCX-1.11.2-NVHPC-21.9-CUDA-11.4.1.eb

m/motif/motif-2.3.8-GCCcore-11.3.0.eb

@@ -0,0 +1,44 @@
+# IT4Innovations 2022
+# JK
+
+easyblock = 'ConfigureMake'
+
+name = 'motif'
+version = '2.3.8'
+
+homepage = 'https://motif.ics.com/'
+description = """Motif refers to both a graphical user interface (GUI) specification and the widget toolkit for building
+ applications that follow that specification under the X Window System on Unix and other POSIX-compliant systems.
+ It was the standard toolkit for the Common Desktop Environment and thus for Unix."""
+
+toolchain = {'name': 'GCCcore', 'version': '11.3.0'}
+
+source_urls = [SOURCEFORGE_SOURCE]
+sources = ['%(name)s-%(version)s.tar.gz']
+checksums = ['859b723666eeac7df018209d66045c9853b50b4218cecadb794e2359619ebce7']
+
+builddependencies = [
+    ('Autotools', '20220317'),
+    ('flex', '2.6.4'),
+    ('Bison', '3.8.2'),
+    ('binutils', '2.38'),
+    ('util-linux', '2.38'),
+]
+
+dependencies = [
+    ('X11', '20220504'),
+    ('libpng', '1.6.37'),
+    ('freetype', '2.12.1'),
+    ('libjpeg-turbo', '2.1.3'),
+    ('bzip2', '1.0.8'),
+]
+
+# makefile is not parallel safe
+parallel = 1
+
+sanity_check_paths = {
+    'files': ['lib/libMrm.a', 'lib/libUil.a', 'lib/libXm.a', 'bin/mwm', 'bin/uil', 'bin/xmbind'],
+    'dirs': ['include/Mrm', 'include/uil', 'include/X11', 'include/Xm'],
+}
+
+moduleclass = 'vis'

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

@@ -61,12 +61,15 @@ configopts += '-DQE_ENABLE_CUDA=ON -DQE_ENABLE_MPI_GPU_AWARE=ON '
 configopts += '-DNVFORTRAN_CUDA_VERSION=11.4 '
 configopts += '-DNVFORTRAN_CUDA_CC=80 '
 
-# only pw is available for GPU
+# gipaw zatim neni portle na GPU
 buildopts = 'all gwl xspectra couple epw w90' # no rule to make target 'gipaw'
+preinstallopts = ' FC=pgfortran F77=pgfortran F90=pgfortran CC=pgcc CXX=pgc++ ctest -j4 --output-on-failure -L unit && '
 
 # parallel build tends to fail
 parallel = 1
 
-#skipsteps = ['sanitycheck']
+modluafooter = """
+add_property('arch', 'gpu')
+"""
 
 moduleclass = 'chem'

u/UCX/UCX-1.11.2-NVHPC-21.9-CUDA-11.4.1.eb

@@ -21,15 +21,15 @@ sources = ['%(namelower)s-%(version)s.tar.gz']
 #patches = ['%(name)s-%(version)s.patch']
 
 builddependencies = [
-    ('binutils', '2.35'),
-    ('Autotools', '20200321'),
-    ('pkg-config', '0.29.2'),
+    ('binutils', '2.35', '', ('GCCcore', '10.2.0')),
+    ('Autotools', '20200321', '', ('GCCcore', '10.2.0')),
+    ('pkg-config', '0.29.2', '', ('GCCcore', '10.2.0')),
 ]
 
 osdependencies = [OS_PKG_IBVERBS_DEV]
 
 dependencies = [
-    ('numactl', '2.0.13'),
+    ('numactl', '2.0.13', '', ('GCCcore', '10.2.0')),
     ('CUDAcore', '11.4.1', '', True),
     ('GDRCopy', '2.3', '-CUDA-11.4.1'),
 ]