new file: c/Cube/Cube-4.3.5.eb

new file:   g/GROMACS/GROMACS-2016.5-intel-2017b-serial.eb
	new file:   o/OPARI2/OPARI2-2.0.2.eb
	new file:   o/OTF2/OTF2-2.1.eb
	new file:   s/Score-P/Score-P-3.1-intel-2017a.eb
	new file:   s/scikit-image/.scikit-image-0.13.1-Py-3.6.eb.swp
	modified:   s/scikit-learn/scikit-learn-0.19.1-Py-3.6.eb

c/Cube/Cube-4.3.5.eb

@@ -0,0 +1,28 @@
+easyblock = 'EB_Score_minus_P'
+
+name = 'Cube'
+version = '4.3.5'
+
+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': 'dummy', 'version': ''}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = ['http://apps.fz-juelich.de/scalasca/releases/cube/%(version_major_minor)s/dist']
+
+dependencies = [
+    ('Qt', '4.8.7'),
+]
+
+sanity_check_paths = {
+    'files': ["bin/cube", ("lib/libcube4.a", "lib64/libcube4.a"),
+              ("lib/libcube4.%s" % SHLIB_EXT, "lib64/libcube4.%s" % SHLIB_EXT)],
+    'dirs': ["include/cube", "include/cubew"],
+}
+
+moduleclass = 'perf'

g/GROMACS/GROMACS-2016.5-intel-2017b-serial.eb

@@ -0,0 +1,31 @@
+name = 'GROMACS'
+version = '2016.5'
+
+homepage = 'http://www.gromacs.org'
+description = """GROMACS is a versatile package to perform molecular dynamics,
+ i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles."""
+
+toolchain = {'name': 'intel', 'version': '2017b'}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+source_urls = ['http://ftp.gromacs.org/pub/gromacs/']
+sources = [SOURCELOWER_TAR_GZ]
+
+checksums = ['f41807e5b2911ccb547a3fd11f105d47']
+
+configopts = ' -DGMX_GPU=OFF  -DBUILD_SHARED_LIBS=OFF  -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF  -DGMX_SIMD=AVX2_256  -DGMX_BUILD_OWN_FFTW=ON  -DGMX_MPI=ON'
+
+builddependencies = [
+    ('CMake', '3.9.1', '', True),
+]
+
+dependencies = [
+    ('Boost', '1.66.0', '-serial'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/gmx_mpi'],
+    'dirs': [''],
+}
+
+moduleclass = 'bio'

o/OPARI2/OPARI2-2.0.2.eb

@@ -0,0 +1,28 @@
+# IT4Innovations 2018
+
+easyblock = 'ConfigureMake'
+
+name = 'OPARI2'
+version = '2.0.2'
+
+homepage = 'http://www.score-p.org'
+description = """OPARI2, the successor of Forschungszentrum Juelich's OPARI,
+ is a source-to-source instrumentation tool for OpenMP and hybrid codes.
+ It surrounds OpenMP directives and runtime library calls with calls to
+ the POMP2 measurement interface."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = ['http://www.vi-hps.org/upload/packages/opari2/']
+
+checksums = [
+    '70736e5592dd0d95a73f9b74ea625a88',     # opari2-2.0.2.tar.gz
+]
+
+sanity_check_paths = {
+    'files': ["bin/opari2", "include/opari2/pomp2_lib.h"],
+    'dirs': [],
+}
+
+moduleclass = 'perf'

o/OTF2/OTF2-2.1.eb

@@ -0,0 +1,31 @@
+# IT4Innovations 2018
+
+easyblock = 'EB_Score_minus_P'
+
+name = 'OTF2'
+version = '2.1'
+
+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 = {'name': 'dummy', 'version': ''}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = ['http://www.vi-hps.org/upload/packages/otf2/']
+
+checksums = [
+    'e2994e53d9b7c2cbd0c4f564d638751e',     # otf2-2.1.tar.gz
+]
+
+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'

s/Score-P/Score-P-3.1-intel-2017a.eb

@@ -0,0 +1,47 @@
+easyblock = 'EB_Score_minus_P'
+
+name = 'Score-P'
+version = '3.1'
+
+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': '2017a'}
+
+sources = ['scorep-%(version)s.tar.gz']
+source_urls = ['http://www.vi-hps.org/upload/packages/scorep/']
+
+# Backported fix to prevent build-score/configure from picking up CFLAGS etc.;
+# included in Score-P 2.0.2 and above
+#patches = [
+#    'Score-P-2.0.1_fix_score_configure.patch',
+#]
+
+checksums = [
+    '065bf8eb08398e8146c895718ddb9145',     # scorep-2.0.1.tar.gz
+]
+
+dependencies = [
+#    ('libunwind', '1.1'),
+    ('Cube', '4.3.5', '', True),
+    ('OPARI2', '2.0.2', '', True),
+    ('OTF2', '2.1', '', True),
+    ('PAPI', '5.4.3', '', 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'

s/scikit-image/scikit-image-0.13.1-Py-3.6.eb

@@ -0,0 +1,33 @@
+# IT4Innovations 2018
+
+easyblock = 'PythonPackage'
+
+name = 'scikit-image'
+version = '0.12.3'
+
+homepage = 'http://scikit-learn.org/stable/index.html'
+description = """Scikit-learn integrates machine learning algorithms in the tightly-knit scientific Python world,
+building upon numpy, scipy, and matplotlib. As a machine-learning module,
+it provides versatile tools for data mining and analysis in any field of science and engineering.
+It strives to be simple and efficient, accessible to everybody, and reusable in various contexts."""
+
+toolchain = {'name': 'Py', 'version': '3.6'}
+
+source_urls = [PYPI_SOURCE]
+sources = [SOURCE_TAR_GZ]
+
+dependencies = [
+    ('matplotlib', '2.1.1'),
+    ('numpy', '1.13.3'),
+    ('scipy', '1.0.0'),
+    ('six', '1.11.0'),
+]
+
+options = {'modulename': 'skimage'}
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib/python3.6/site-packages/'],
+}
+
+moduleclass = 'python'

s/scikit-learn/scikit-learn-0.19.1-Py-3.6.eb

@@ -4,7 +4,6 @@ easyblock = 'PythonPackage'
 
 name = 'scikit-learn'
 version = '0.19.1'
-versionsuffix = '-Python-%(pyver)s'
 
 homepage = 'http://scikit-learn.org/stable/index.html'
 description = """Scikit-learn integrates machine learning algorithms in the tightly-knit scientific Python world,
@@ -12,21 +11,23 @@ building upon numpy, scipy, and matplotlib. As a machine-learning module,
 it provides versatile tools for data mining and analysis in any field of science and engineering.
 It strives to be simple and efficient, accessible to everybody, and reusable in various contexts."""
 
-toolchain = {'name': 'dummy', 'version': ''}
+toolchain = {'name': 'Py', 'version': '3.6'}
 
 source_urls = [PYPI_SOURCE]
 sources = [SOURCE_TAR_GZ]
 
 dependencies = [
-    ('Python', '3.6.1'),
-    ('matplotlib', '2.0.2', versionsuffix + '-libpng-1.6.29'),
+    ('matplotlib', '2.1.1'),
+    ('numpy', '1.13.3'),
+    ('scipy', '1.0.0'),
+    ('scikit-image', '0.13.1'),
 ]
 
 options = {'modulename': 'sklearn'}
 
 sanity_check_paths = {
     'files': [],
-    'dirs': ['lib/python%(pyshortver)s/site-packages/sklearn'],
+    'dirs': ['lib/python3.6/site-packages/sklearn'],
 }
 
-moduleclass = 'data'
+moduleclass = 'python'