new file: m/MUMPS/MUMPS-5.3.1-intel-2018a-parmetis.eb

new file:   m/MUMPS/MUMPS-5.3.1-intel-2020a-parmetis.eb
	new file:   o/OVITO/OVITO-3.0.0.eb
	new file:   p/ParMETIS/ParMETIS-4.0.3-intel-2018a.eb
	new file:   p/ParMETIS/ParMETIS-4.0.3-intel-2020a.eb
	new file:   s/Scalasca/Scalasca-2.5-intel-2020a.eb

m/MUMPS/MUMPS-5.3.1-intel-2018a-parmetis.eb

@@ -0,0 +1,24 @@
+# IT4Innovations 2020
+
+name = 'MUMPS'
+version = '5.3.1'
+versionsuffix = '-parmetis'
+
+homepage = 'http://graal.ens-lyon.fr/MUMPS/'
+description = "A parallel sparse direct solver"
+
+toolchain = {'name': 'intel', 'version': '2018a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['http://mumps.enseeiht.fr/']
+sources = ['%(name)s_%(version)s.tar.gz']
+
+dependencies = [
+    ('SCOTCH', '6.0.6'),
+    ('ParMETIS', '4.0.3'),
+]
+
+parallel = 1
+buildopts = 'all'
+
+moduleclass = 'math'

m/MUMPS/MUMPS-5.3.1-intel-2020a-parmetis.eb

@@ -0,0 +1,24 @@
+# IT4Innovations 2020
+
+name = 'MUMPS'
+version = '5.3.1'
+versionsuffix = '-parmetis'
+
+homepage = 'http://graal.ens-lyon.fr/MUMPS/'
+description = "A parallel sparse direct solver"
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['http://mumps.enseeiht.fr/']
+sources = ['%(name)s_%(version)s.tar.gz']
+
+dependencies = [
+    ('SCOTCH', '6.0.9'),
+    ('ParMETIS', '4.0.3'),
+]
+
+parallel = 1
+buildopts = 'all'
+
+moduleclass = 'math'

o/OVITO/OVITO-3.0.0.eb

@@ -0,0 +1,26 @@
+# JH 2020
+
+easyblock = 'Tarball'
+
+name = 'OVITO'
+version = '3.0.0'
+
+homepage = 'https://www.ovito.org/'
+description = """OVITO is a scientific visualization and analysis software for atomistic and particle simulation data."""
+
+toolchain = SYSTEM
+
+# download from https://www.ovito.org/linux-downloads/:
+sources = ['ovito-basic-3.0.0-dev794-x86_64.tar.xz']
+
+#postinstallcmds = [
+#    "cp -a %(builddir)s/Kent_tools/blat/{blat,gfClient,gfServer} %(installdir)s/bin",
+#    "cp -a %(builddir)s/Kent_tools/blat/FOOTER.txt %(installdir)s/bin/FOOTER_blat.txt",
+#]
+
+sanity_check_paths = {
+    'files': ['bin/ovito'],
+    'dirs': [],
+}
+
+moduleclass = 'vis'

p/ParMETIS/ParMETIS-4.0.3-intel-2018a.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': 'intel', 'version': '2018a'}
+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/ParMETIS/ParMETIS-4.0.3-intel-2020a.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': 'intel', 'version': '2020a'}
+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'

s/Scalasca/Scalasca-2.5-intel-2020a.eb

@@ -0,0 +1,35 @@
+# IT4Innovations 2019
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'Scalasca'
+version = '2.5'
+
+homepage = 'http://www.scalasca.org/'
+description = """Scalasca is a software tool that supports the performance optimization of
+ parallel programs by measuring and analyzing their runtime behavior. The analysis identifies
+ potential performance bottlenecks -- in particular those concerning communication and
+ synchronization -- and offers guidance in exploring their causes."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = [
+    'http://apps.fz-juelich.de/scalasca/releases/scalasca/%(version_major_minor)s/dist']
+
+dependencies = [
+    ('Score-P', '6.0'),
+]
+
+sanity_check_paths = {
+    'files': [
+        "bin/scalasca",
+        ("lib/libpearl.replay.a",
+         "lib64/libpearl.replay.a")],
+    'dirs': [],
+}
+
+# Ensure that local metric documentation is found by Cube GUI
+modextrapaths = {'CUBE_DOCPATH': 'share/doc/scalasca/patterns'}
+
+moduleclass = 'perf'