Merge branch 'it4i-barbora'

a/AtsPy/AtsPy-0.2.8-Python-3.6.9-GCC-8.3.0-2.32-CUDA-10.0.130.eb

@@ -0,0 +1,30 @@
+# IT4Innovations 2020
+# LK
+
+easyblock = 'PythonPackage'
+
+name = 'AtsPy'
+version = '0.2.8'
+versionsuffix = '-Python-%(pyver)s-CUDA-10.0.130'
+
+homepage = 'http://atztogo.github.io/phonopy/'
+description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""
+
+toolchain = {'name': 'GCC', 'version': '8.3.0-2.32'}
+
+source_urls = [PYPI_SOURCE]
+sources = ['atspy-%(version)s.tar.gz']
+
+dependencies = [
+    ('Python', '3.6.9'),
+    ('CUDA', '10.0.130', '', True),
+]
+
+use_pip = True
+
+sanity_check_paths = {
+    'files': ['lib/python3.6/site-packages/atspy/ssa.py', 'lib/python3.6/site-packages/atspy/pyaf.py', 'lib/python3.6/site-packages/atspy/nbeats.py'],
+    'dirs': ['lib', 'lib64'],
+}
+
+moduleclass = 'tools'

a/AtsPy/AtsPy-0.2.8-Python-3.6.9-GCC-8.3.0-2.32.eb

@@ -0,0 +1,29 @@
+# IT4Innovations 2020
+# LK
+
+easyblock = 'PythonPackage'
+
+name = 'AtsPy'
+version = '0.2.8'
+versionsuffix = '-Python-%(pyver)s'
+
+homepage = 'http://atztogo.github.io/phonopy/'
+description = """Phonopy is an open source package of phonon calculations based on the supercell approach."""
+
+toolchain = {'name': 'GCC', 'version': '8.3.0-2.32'}
+
+source_urls = [PYPI_SOURCE]
+sources = ['atspy-%(version)s.tar.gz']
+
+dependencies = [
+    ('Python', '3.6.9'),
+]
+
+use_pip = True
+
+sanity_check_paths = {
+    'files': ['lib/python3.6/site-packages/atspy/ssa.py', 'lib/python3.6/site-packages/atspy/pyaf.py', 'lib/python3.6/site-packages/atspy/nbeats.py'],
+    'dirs': ['lib', 'lib64'],
+}
+
+moduleclass = 'tools'

p/Python/Python-3.6.9-GCC-8.3.0-2.32.eb

@@ -0,0 +1,49 @@
+# IT4Innovations 2020
+# LK
+
+name = 'Python'
+version = '3.6.9'
+
+homepage = 'http://python.org/'
+description = "Python is a programming language that lets you work more quickly and integrate your systems more effectively."
+
+toolchain = {'name': 'GCC', 'version': '8.3.0-2.32'}
+toolchainopts = {'pic': True, 'opt': True, 'optarch': True}
+
+source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/']
+sources = [SOURCE_TGZ]
+
+prebuildopts = 'export CFLAGS="-I${EBROOTXZ}/include" && '
+prebuildopts += 'export LDFLAGS="-L${EBROOTXZ}/lib" && '
+configopts = "--enable-optimizations"
+
+# python needs bzip2 to build the bz2 package
+dependencies = [
+    ('bzip2', '1.0.6', '', True),
+    ('libreadline', '7.0', '', True),
+    ('SQLite', '3.17.0', '', True),
+    ('Tk', '8.6.6', '', True),
+    ('GMP', '6.1.2', '', True),
+    ('XZ', '5.2.3', '', True),
+    ('zlib', '1.2.11', '', True),
+    ('ncurses', '6.1', '', True),
+    #   ('OpenSSL', '1.0.1q'),  # OS dependency should be preferred if the os version is more recent then this version, it's
+    #   nice to have an up to date openssl for security reasons
+]
+
+#osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
+
+exts_list = [
+    ('setuptools', '41.6.0', {
+        'source_tmpl': '%(name)s-%(version)s.zip',
+        'source_urls': ['https://pypi.python.org/packages/source/s/setuptools/'],
+    }),
+    ('pip', '19.3.1', {
+        'source_urls': ['https://pypi.python.org/packages/source/p/pip/'],
+    }),
+    ('nose', '1.3.7', {
+        'source_urls': ['https://pypi.python.org/packages/source/n/nose/'],
+    }),
+]
+
+moduleclass = 'lang'

v/Vampir/Vampir-9.6.1.eb

@@ -0,0 +1,40 @@
+# IT4Innovations 2020
+# LK
+
+easyblock = 'Binary'
+
+name = 'Vampir'
+version = '9.6.1'
+variant = 'linux-x86_64'
+
+homepage = 'http://www.vampir.eu'
+description = """The Vampir software tool provides an easy-to-use framework that enables
+ developers to quickly display and analyze arbitrary program behavior at any level of detail.
+ The tool suite implements optimized event analysis algorithms and customizable displays that
+ enable fast and interactive rendering of very local_complex performance monitoring data."""
+
+toolchain = SYSTEM
+
+sources = ['vampir-%s-%s-setup.bin' % (version, variant)]
+
+checksums = [
+    '9aa16e23aef4d9798b2238b76aa6cc31',    # vampir-9.6.1-linux-x86_64-setup.bin
+]
+
+# Adjust this variable to point to the location of your Vampir license file
+license_file = '/apps/licenses/vampir/vampir.license'
+
+install_cmd = "./" + sources[0] + " --silent --instdir=%(installdir)s "
+install_cmd += "--no-icon --no-menu-items --no-trace-file-association"
+
+sanity_check_paths = {
+    'files': ["bin/vampir", "doc/vampir-manual.pdf"],
+    'dirs': []
+}
+
+# MS: Vampir does its own license activation thing...
+# modextravars = {
+#    'VAMPIR_LICENSE': license_file,
+#}
+
+moduleclass = 'perf'

v/Vampir/Vampir-9.9.0.eb

@@ -0,0 +1,40 @@
+# IT4Innovations 2020
+# LK
+
+easyblock = 'Binary'
+
+name = 'Vampir'
+version = '9.9.0'
+variant = 'linux-x86_64'
+
+homepage = 'http://www.vampir.eu'
+description = """The Vampir software tool provides an easy-to-use framework that enables
+ developers to quickly display and analyze arbitrary program behavior at any level of detail.
+ The tool suite implements optimized event analysis algorithms and customizable displays that
+ enable fast and interactive rendering of very local_complex performance monitoring data."""
+
+toolchain = SYSTEM
+
+sources = ['vampir-%s-%s-setup.sh' % (version, variant)]
+
+checksums = [
+    '107ab03b1b2142ff8967e17f7eecc80f',    # vampir-9.9.0-linux-x86_64-setup.sh
+]
+
+# Adjust this variable to point to the location of your Vampir license file
+license_file = '/apps/licenses/vampir/vampir.license'
+
+install_cmd = "./" + sources[0] + " --silent --instdir=%(installdir)s "
+install_cmd += "--no-icon --no-menu-items --no-trace-file-association"
+
+sanity_check_paths = {
+    'files': ["bin/vampir", "doc/vampir-manual.pdf"],
+    'dirs': []
+}
+
+# MS: Vampir does its own license activation thing...
+# modextravars = {
+#    'VAMPIR_LICENSE': license_file,
+#}
+
+moduleclass = 'perf'