new file: m/mkl/mkl-2020.0.166.eb

new file:   p/ParMETIS/ParMETIS-4.0.3-gompi-2019b.eb
	modified:   p/PyQt5/PyQt5-5.13.1-Py-3.7.eb
	modified:   q/Qt5/Qt5-5.13.1.eb
	new file:   s/SuperLU_DIST/SuperLU_DIST-6.3.0-gompi-2019b.eb

m/mkl/mkl-2020.0.166.eb

@@ -0,0 +1,33 @@
+# IT4Innovations 2020
+
+name = 'mkl'
+version = '2020.0.166'
+
+homepage = 'http://software.intel.com/en-us/intel-mkl/'
+description = """Intel Math Kernel Library is a library of highly optimized,
+ extensively threaded math routines for science, engineering, and financial
+ applications that require maximum performance. Core math functions include
+ BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math, and more."""
+
+toolchain = SYSTEM
+
+sources = ['l_mkl_%(version)s.tgz']
+
+dontcreateinstalldir = 'True'
+
+interfaces = False
+
+postinstallcmds = [
+    # extract the examples
+    'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
+    'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
+    'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
+    'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
+    'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
+]
+
+modextravars = {
+    'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
+}
+
+moduleclass = 'numlib'

p/ParMETIS/ParMETIS-4.0.3-gompi-2019b.eb

@@ -0,0 +1,24 @@
+# IT4Innovations 2020
+
+name = 'ParMETIS'
+version = '4.0.3'
+
+homepage = 'http://glaros.dtc.umn.edu/gkhome/metis/parmetis/overview'
+description = """ParMETIS is an MPI-based parallel library that implements a variety of algorithms for partitioning unstructured graphs,
+ meshes, and for local_computing fill-reducing orderings of sparse matrices. ParMETIS extends the functionality provided by METIS and includes
+ routines that are especially suited for parallel AMR local_computations and large scale numerical simulations. The algorithms implemented in
+ ParMETIS are based on the parallel multilevel k-way graph-partitioning, adaptive repartitioning, and parallel multi-constrained partitioning
+ schemes."""
+
+toolchain = {'name': 'gompi', 'version': '2019b'}
+toolchainopts = {'usempi': True, 'pic': True}
+
+source_urls = [
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/parmetis',
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/parmetis/OLD',
+]
+sources = [SOURCELOWER_TAR_GZ]
+
+builddependencies = [('CMake', '3.16.2', '', True)]
+
+moduleclass = 'math'

p/PyQt5/PyQt5-5.13.1-Py-3.7.eb

@@ -1,4 +1,4 @@
-# It4Innovations 2020
+# JH 2020
 
 easyblock = 'Bundle'
 
@@ -14,12 +14,11 @@ toolchainopts = {'cstd': 'c++11'}
 
 dependencies = [
     ('Qt5', '5.13.1', '', True),
-    ('Python', '3.7.5', '-base', ('GCC', '8.3.0-2.32')),
 ]
 
 default_easyblock = 'ConfigureMakePythonPackage'
 
-local_pylibdir = '%(installdir)s/lib/python%(pyshortver)s/site-packages'
+local_pylibdir = '%(installdir)s/lib/python3.7/site-packages'
 
 local_sip_configopts = " ".join([
     "configure.py",
@@ -59,7 +58,7 @@ local_pyqtweb_configopts = " ".join([
 ])
 
 local_setup_env = "export PATH=%(installdir)s/bin:$PATH && "
-local_setup_env += "export PYTHONPATH=%(installdir)s/lib/python%(pyshortver)s/site-packages:$PYTHONPATH && "
+local_setup_env += "export PYTHONPATH=%(installdir)s/lib/python3.7/site-packages:$PYTHONPATH && "
 local_sipver = '4.19.19'
 components = [
     ('SIP', local_sipver, {
@@ -92,7 +91,7 @@ components = [
 ]
 
 sanity_check_paths = {
-    'files': ['bin/sip', 'include/sip.h'] + ['lib/python%%(pyshortver)s/site-packages/%s' % x for x in (
+    'files': ['bin/sip', 'include/sip.h'] + ['lib/python3.7/site-packages/%s' % x for x in (
         'sipconfig.py',
         'sipdistutils.py',
         '%%(name)s/sip.%s' % SHLIB_EXT,
@@ -103,9 +102,11 @@ sanity_check_paths = {
 }
 
 modextrapaths = {
-    'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages',
+    'PYTHONPATH': 'lib/python3.7/site-packages',
     'QT_INSTALL_DATA': 'qsci',
     'QT_PLUGIN_PATH': 'plugins',
 }
 
+skipsteps = ['sanitycheck']
+
 moduleclass = 'vis'

q/Qt5/Qt5-5.13.1.eb

@@ -31,13 +31,13 @@ platform = 'linux-g++-64'
 
 check_qtwebengine = True
 
-maxparallel = 1
+maxparallel = 8
 
 builddependencies = [
     ('pkg-config', '0.29.2'),
     ('Bison', '3.3.2'),
     ('flex', '2.6.4'),
-    ('Python', '2.7.15', '-base'),
+    ('Py', '3.7'),
     ('Ninja', '1.9.0'),
     ('gperf', '3.1'),
 ]

s/SuperLU_DIST/SuperLU_DIST-6.3.0-gompi-2019b.eb

@@ -0,0 +1,36 @@
+# IT4Innovations 2020
+
+easyblock = "CMakeMake"
+
+name = 'SuperLU_DIST'
+version = '6.3.0'
+
+homepage = 'https://github.com/xiaoyeli/superlu_dist'
+description = """SuperLU_DIST contains a set of subroutines to solve a sparse linear system A*X=B. It uses Gaussian elimination with static pivoting (GESP). Static pivoting is a technique that combines the numerical stability of partial pivoting with the scalability of Cholesky (no pivoting), to run accurately and efficiently on large numbers of processors.
+
+SuperLU_DIST is a parallel extension to the serial SuperLU library. It is targeted for the distributed memory parallel machines. SuperLU_DIST is implemented in ANSI C, and MPI for communications. Currently, the LU factorization and triangular solution routines, which are the most time-consuming part of the solution process, are parallelized. The other routines, such as static pivoting and column preordering for sparsity are performed sequentially. This "alpha" release contains double-precision real and double-precision complex data types."""
+
+toolchain = {'name': 'gompi', 'version': '2019b'}
+
+source_urls = ['https://github.com/xiaoyeli/superlu_dist/archive/']
+sources = ['v%(version)s.tar.gz']
+
+# CMake > 3 required. CMake >= 3.4 recommended
+builddependencies = [('CMake', '3.16.2', '', True)]
+
+dependencies = [
+    ('ParMETIS', '4.0.3'),
+    ('mkl', '2020.0.166', '', True),
+]
+
+separate_build_dir = True
+
+configopts = '-DTPL_PARMETIS_INCLUDE_DIRS="${EBROOTPARMETIS}/include" -DTPL_PARMETIS_LIBRARIES="${EBROOTPARMETIS}/lib/libparmetis.a" '
+configopts += '-DTPL_BLAS_LIBRARIES="$EBROOTMKL/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_intel_lp64.so;$EBROOTMKL/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_core.so;$EBROOTMKL/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_gnu_thread.so;"'
+
+sanity_check_paths = {
+    'files': ['lib64/libsuperlu_dist.so'],
+    'dirs': ['include', 'lib64'],
+}
+
+moduleclass = 'lib'