Merge branch 'it4i-barbora'

m/Molpro/Molpro-mpp-2020.2.1.linux_x86_64_openmp.eb

@@ -0,0 +1,23 @@
+# IT4Innovations 2021
+# LK
+
+name = 'Molpro'
+version = '2020.2.1'
+versionprefix = 'mpp-'
+versionsuffix = '.linux_x86_64_openmp'
+
+homepage = 'https://www.molpro.net'
+description = """Molpro is a local_complete system of ab initio programs for molecular electronic structure calculations."""
+
+toolchain = SYSTEM
+
+# no source URL available, requires registration to download
+sources = ['%(namelower)s-%(versionprefix)s%(version)s%(versionsuffix)s.sh']
+
+precompiled_binaries = True
+
+# license file - uncomment if a licence file is supplied by your site and
+# is valid for all users - the value of license_file may have to be changed
+# license_file = HOME + '/licenses/%(name)s/license.lic'
+
+moduleclass = 'chem'

p/pigz/pigz-2.6-GCC-10.2.0.eb

@@ -0,0 +1,40 @@
+# IT4Innovations 2021
+# LK
+
+easyblock = 'MakeCp'
+
+name = 'pigz'
+version = '2.6'
+
+homepage = 'http://zlib.net/pigz/'
+
+description = """
+ pigz, which stands for parallel implementation of gzip, is a fully
+ functional replacement for gzip that exploits multiple processors and multiple
+ cores to the hilt when local_compressing data. pigz was written by Mark Adler, and
+ uses the zlib and pthread libraries.
+"""
+
+toolchain = {'name': 'GCC', 'version': '10.2.0'}
+
+source_urls = ['http://zlib.net/pigz/']
+sources = [SOURCE_TAR_GZ]
+
+# Patch Makefile so zlib provided by EasyBuild is picked up
+#patches = ['%(name)s-%(version)s_Makefile.patch']
+
+dependencies = [
+    ('zlib', '1.2.11', '', True),
+]
+
+parallel = 1
+
+files_to_copy = [(["pigz", "unpigz"], "bin")]
+
+sanity_check_paths = {
+    'files': ['bin/pigz', 'bin/unpigz'],
+    'dirs': [],
+}
+
+
+moduleclass = 'tools'

v/VisIt/VisIt-2.10.0.eb

@@ -1,3 +1,6 @@
+# IT4Innovations 2020
+# LK
+
 name = 'VisIt'
 version = '2.10.0'
 

v/VisIt/VisIt-3.1.0.eb

@@ -0,0 +1,26 @@
+# IT4Innovations 2020
+# LK
+
+name = 'VisIt'
+version = '3.1.0'
+
+homepage = 'https://wci.llnl.gov/simulation/local_computer-codes/visit'
+description = """VisIt is an Open Source, interactive, scalable, visualization, animation and analysis tool"""
+
+toolchain = SYSTEM
+
+source_urls = [
+    'http://portal.nersc.gov/project/visit/releases/%(version)s',
+]
+sources = ['visit3_1_0.linux-x86_64-rhel7.tar.gz',
+           'visit-install3_1_0'
+           ]
+
+skipsteps = ['configure', 'build']
+
+sanity_check_paths = {
+    'files': ['bin/visit'],
+    'dirs': ['bin', 'current/bin'],
+}
+
+moduleclass = 'vis'