new file: c/Cube/Cube-4.4.4-intel-2020a.eb

new file:   c/CubeGUI/CubeGUI-4.4.4-intel-2020a.eb
	new file:   c/CubeLib/CubeLib-4.4.4-intel-2020a.eb
	new file:   f/FFTW/FFTW-3.3.8-intel-2020a.eb
	modified:   l/libGLU/libGLU-9.0.0.eb
	new file:   o/OTF2/OTF2-2.2.eb
	new file:   q/Qt5/Qt5-5.14.1.eb
	new file:   s/Score-P/Score-P-6.0-intel-2020a.eb
	new file:   v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb

c/Cube/Cube-4.4.4-intel-2020a.eb

@@ -0,0 +1,23 @@
+# IT4Innovations 2020
+
+easyblock = "Toolchain"
+
+name = 'Cube'
+version = '4.4.4'
+
+homepage = 'http://www.scalasca.org/software/cube-4.x/download.html'
+description = """Cube, which is used as performance report explorer for Scalasca and
+ Score-P, is a generic tool for displaying a multi-dimensional performance space
+ consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system
+ resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree
+ can be collapsed or expanded to achieve the desired level of granularity."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+
+dependencies = [
+    ('CubeW', '4.4.3'),
+    ('CubeLib', '4.4.4'),
+    ('CubeGUI', '4.4.4'),
+]
+
+moduleclass = 'perf'

c/CubeGUI/CubeGUI-4.4.4-intel-2020a.eb

@@ -0,0 +1,34 @@
+# IT4Innovations 2020
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'CubeGUI'
+version = '4.4.4'
+
+homepage = 'http://www.scalasca.org/software/cube-4.x/download.html'
+description = """Cube, which is used as performance report explorer for Scalasca and
+ Score-P, is a generic tool for displaying a multi-dimensional performance space
+ consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system
+ resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree
+ can be collapsed or expanded to achieve the desired level of granularity."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'optarch': False, 'pic': True}
+
+source_urls = ['http://apps.fz-juelich.de/scalasca/releases/cube/4.4/dist/']
+sources = ['cubegui-%(version)s.tar.gz']
+
+dependencies = [
+    ('Qt', '5.14.1', '', True),
+    ('CubeLib', '4.4.4')
+]
+
+configopts = '--enable-platform-mic --with-qt-specs=linux-icc-64 --with-frontend-local_compiler-suite=intel'
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['bin', 'include', 'lib'],
+}
+
+
+moduleclass = 'perf'

c/CubeLib/CubeLib-4.4.4-intel-2020a.eb

@@ -0,0 +1,27 @@
+# IT4Innovations 2020
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'CubeLib'
+version = '4.4.4'
+
+homepage = 'http://www.scalasca.org/software/cube-4.x/download.html'
+description = """Cube, which is used as performance report explorer for Scalasca and
+ Score-P, is a generic tool for displaying a multi-dimensional performance space
+ consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system
+ resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree
+ can be collapsed or expanded to achieve the desired level of granularity."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'optarch': False, 'pic': True}
+
+source_urls = ['http://apps.fz-juelich.de/scalasca/releases/cube/4.4/dist/']
+sources = ['cubelib-%(version)s.tar.gz']
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['bin', 'include', 'lib'],
+}
+
+
+moduleclass = 'perf'

f/FFTW/FFTW-3.3.8-intel-2020a.eb

@@ -0,0 +1,26 @@
+# IT4Innovations 2020
+
+name = 'FFTW'
+version = '3.3.8'
+
+homepage = 'http://www.fftw.org'
+description = """FFTW is a C subroutine library for local_computing the discrete Fourier transform (DFT)
+ in one or more dimensions, of arbitrary input size, and of both real and local_complex data."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = [SOURCELOWER_TAR_GZ]
+
+# no quad precision, requires GCC v4.6 or higher
+# see also
+# http://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html
+with_quad_prec = False
+
+# local_compilation fails when configuring with --enable-avx-128-fma, Intel local_compilers do not support FMA4 instructions
+use_fma4 = False
+
+runtest = 'check'
+
+moduleclass = 'numlib'

l/libGLU/libGLU-9.0.0.eb

@@ -8,7 +8,7 @@ version = '9.0.0'
 homepage = 'ftp://ftp.freedesktop.org/pub/mesa/glu/'
 description = """The OpenGL Utility Library (GLU) is a local_computer graphics library for OpenGL. """
 
-toolchain = {
+toolchain = SYSTEM
 toolchainopts = {'pic': True}
 
 source_urls = [
@@ -20,6 +20,10 @@ dependencies = [
     ('Mesa', '18.3.1'),
 ]
 
+builddependencies = [
+    ('binutils', '2.32'),
+]
+
 
 sanity_check_paths = {
     'files': ['lib/libGLU.so.1'],

o/OTF2/OTF2-2.2.eb

@@ -0,0 +1,31 @@
+# IT4Innovations 2020
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'OTF2'
+version = '2.2'
+
+homepage = 'http://www.score-p.org'
+description = """The Open Trace Format 2 is a highly scalable, memory efficient event
+ trace data format plus support library. It is the new standard trace format for
+ Scalasca, Vampir, and TAU and is open for other tools."""
+
+toolchain = SYSTEM
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = ['https://www.vi-hps.org/cms/upload/packages/otf2/']
+
+builddependencies = [('SIONlib', '1.6.1', '-tools')]
+
+configopts = '--enable-shared'
+
+sanity_check_paths = {
+    'files': [
+        "bin/otf2-config",
+        "include/otf2/otf2.h",
+        ("lib/libotf2.a",
+         "lib64/libotf2.a")],
+    'dirs': [],
+}
+
+moduleclass = 'perf'

q/Qt5/Qt5-5.14.1.eb

@@ -0,0 +1,34 @@
+# IT4Innovation 2020
+
+easyblock = 'EB_Qt'
+
+name = 'Qt5'
+version = '5.14.1'
+
+homepage = 'http://qt.io/'
+description = "Qt is a local_comprehensive cross-platform C++ application framework."
+
+toolchain = SYSTEM
+
+source_urls = ['https://download.qt.io/archive/qt/5.14/5.14.1/single']
+sources = ['qt-everywhere-src-%(version)s.tar.xz']
+
+#patches = ['Qt5-5.11.1.patch']
+
+builddependencies = [
+    ('pkg-config', '0.29.2'),
+]
+
+# qtgamepad needs recent kernel/libevdev (fails on RHEL 6.x)
+#configopts = '-sbkip qtgamepad'
+platform = 'linux-g++-64'
+
+dependencies = [
+    ('GLib', '2.62.4'),
+    ('libpng', '1.6.37'),
+    ('X11', '20190717'),
+    ('libGLU', '9.0.0'),
+    ('Mesa', '18.3.1'),
+]
+
+moduleclass = 'devel'

s/Score-P/Score-P-6.0-intel-2020a.eb

@@ -0,0 +1,44 @@
+# IT4Innovations 2020
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'Score-P'
+version = '6.0'
+
+homepage = 'http://www.score-p.org'
+description = """The Score-P measurement infrastructure is a highly scalable and
+ easy-to-use tool suite for profiling, event tracing, and online analysis of HPC
+ applications."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+
+source_urls = ['https://www.vi-hps.org/cms/upload/packages/scorep/']
+sources = ['scorep-%(version)s.tar.gz']
+
+dependencies = [
+    ('Cube', '4.4.3'),
+    ('OPARI2', '2.0.2', '', True),
+    ('OTF2', '2.2', '', True),
+    ('PAPI', '5.5.1', '', True),
+    ('PDT', '3.24', '', True),
+]
+
+configopts = '--enable-shared'
+
+sanity_check_paths = {
+    'files': [
+        "bin/scorep",
+        "include/scorep/SCOREP_User.h",
+        ("lib/libscorep_adapter_mpi_event.a",
+         "lib64/libscorep_adapter_mpi_event.a"),
+        ("lib/libscorep_adapter_mpi_event.%s" %
+         SHLIB_EXT,
+         "lib64/libscorep_adapter_mpi_event.%s" %
+         SHLIB_EXT)],
+    'dirs': [],
+}
+
+# Ensure that local metric documentation is found by Cube GUI
+modextrapaths = {'CUBE_DOCPATH': 'share/doc/scorep/profile'}
+
+moduleclass = 'perf'

v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb

@@ -0,0 +1,67 @@
+# IT4Innovations 2020
+
+easyblock = 'MakeCp'
+
+name = 'VASP'
+version = '5.4.4'
+versionsuffix = '-mkl=sequential'
+
+homepage = 'http://www.vasp.at'
+description = """The Vienna Ab initio Simulation Package (VASP) is a local_computer program for atomic scale
+materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics,
+from first principles.
+
+To use VASP, You need academic licenses from University of Wiena. Follow the instructions https://www.vasp.at/index.php/faqs.
+
+Then send us please a list of authorized users and their ID for which you need this access. Please use only http://support.it4i.cz/rt. We are responsible to verify your licenses. After succesfull verification You will be granted to use VASP in our enviroment."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on
+# how to get access to the code
+sources = ['%(namelower)s.%(version)s.tar.gz']
+
+#checksums = ['8ac646b108f974371eef398973373bf6']
+
+dependencies = [
+    ('zlib', '1.2.11', '', True),
+]
+
+prebuildopts = 'cp arch/makefile.include.linux_intel ./makefile.include && '
+
+# path to libfftw3xf_intel.a is hardcoded in makefile.include
+prebuildopts += 'sed -i "s|\$(MKLROOT)/interfaces/fftw3xf|\$(FFTW_LIB_DIR)|" makefile.include && '
+
+# remove mkl flag to prevent mixing dynamic libs with the static libs in
+# LIBBLACS/SCALAPACK
+prebuildopts += 'sed -i "s|-mkl=sequential ||" makefile.include && '
+
+# OFLAG      = -O2 -xAVX
+prebuildopts += 'sed -i "s|OFLAG      = -O2|OFLAG      = -O2 -ip -xHost|" makefile.include && '
+
+# objects add MKLROOT
+prebuildopts += 'sed -i "s|OBJECTS    = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o|OBJECTS    = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o \$(MKLROOT)/lib/intel64_lin/libfftw3xf_intel.a|" makefile.include && '
+
+prebuildopts += 'sed -i "s|FFLAGS     = -assume byterecl -w|FFLAGS     = -FR -assume byterecl|" makefile.include && '
+prebuildopts += 'sed -i "s|BLAS       =|BLAS       = -mkl=sequential|" makefile.include && '
+
+# VASP uses LIBS as a list of folders
+prebuildopts += 'unset LIBS && '
+
+#prebuildopts += 'exit 1'
+
+buildopts = 'all BLACS="$LIBBLACS" SCALAPACK="$LIBSCALAPACK" '
+
+parallel = 1
+
+files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
+
+sanity_check_paths = {
+    'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'],
+    'dirs': []
+}
+
+modluafooter = 'add_property("state","license")'
+
+moduleclass = 'phys'