new file: c/COMSOL/COMSOL-5.2.0-COM.eb

new file:   c/COMSOL/COMSOL-5.2.0-EDU.eb
	modified:   n/nettle/nettle-3.5.1-GCCcore-8.3.0.eb
	modified:   o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-Java-1.8.0_221.eb
	new file:   o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0-Java-1.8.0_221.eb

c/COMSOL/COMSOL-5.2.0-COM.eb

@@ -0,0 +1,31 @@
+# IT4Innovations 2021
+# LK
+
+name = 'COMSOL'
+version = '5.2.0'
+versionsuffix = '-COM'
+
+homepage = 'https://www.comsol.com'
+description = """
+COMSOL Multiphysics is a general-purpose software platform, based on
+advanced numerical methods, for modeling and simulating physics-based
+problems. 
+"""
+
+toolchain = SYSTEM
+
+# source tarball has to be created manually from dvd
+# mount -o ro /apps/easybuild/sources/c/COMSOL/comsol/COMSOL52_dvd.iso /mnt
+# cd /mnt
+# tar zcf /apps/easybuild/sources/c/COMSOL/COMSOL-5.2.0.tar.gz .
+# umount /mnt
+sources = [SOURCE_TAR_GZ]
+checksums = [None]
+
+# license is required, can be specified via $LMCOMSOL_LICENSE_FILE
+license_file = '/apps/licenses/COMSOL/52/License__com.dat'
+modextravars = {
+    '$LMCOMSOL_LICENSE_FILE': '/apps/licenses/COMSOL/52/License__edu.dat',
+}
+
+moduleclass = 'phys'

c/COMSOL/COMSOL-5.2.0-EDU.eb

@@ -0,0 +1,31 @@
+# IT4Innovations 2021
+# LK
+
+name = 'COMSOL'
+version = '5.2.0'
+versionsuffix = '-EDU'
+
+homepage = 'https://www.comsol.com'
+description = """
+COMSOL Multiphysics is a general-purpose software platform, based on
+advanced numerical methods, for modeling and simulating physics-based
+problems. 
+"""
+
+toolchain = SYSTEM
+
+# source tarball has to be created manually from dvd
+# mount -o ro /apps/easybuild/sources/c/COMSOL/comsol/COMSOL52_dvd.iso /mnt
+# cd /mnt
+# tar zcf /apps/easybuild/sources/c/COMSOL/COMSOL-5.2.0.tar.gz .
+# umount /mnt
+sources = [SOURCE_TAR_GZ]
+checksums = [None]
+
+# license is required, can be specified via $LMCOMSOL_LICENSE_FILE
+license_file = '/apps/licenses/COMSOL/52/License__com.dat'
+modextravars = {
+    '$LMCOMSOL_LICENSE_FILE': '/apps/licenses/COMSOL/52/License__edu.dat',
+}
+
+moduleclass = 'phys'

n/nettle/nettle-3.5.1-GCCcore-8.3.0.eb

@@ -11,19 +11,19 @@ description = """Nettle is a cryptographic library that is designed to fit easil
  languages (C++, Python, Pike, ...), in applications like LSH or GNUPG,
  or even in kernel space."""
 
-toolchain = {'name': 'GCCcore', 'version': '9.3.0'}
+toolchain = {'name': 'GCCcore', 'version': '8.3.0'}
 
 source_urls = [GNU_SOURCE]
 sources = [SOURCE_TAR_GZ]
 checksums = ['75cca1998761b02e16f2db56da52992aef622bf55a3b45ec538bc2eedadc9419']
 
 builddependencies = [
-    ('binutils', '2.34'),
+    ('binutils', '2.32'),
     ('M4', '1.4.18'),
 ]
 
 dependencies = [
-    ('GMP', '6.2.0'),
+    ('GMP', '6.1.2'),
 ]
 
 sanity_check_paths = {

o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-Java-1.8.0_221.eb

@@ -13,7 +13,7 @@ description = """The Open MPI Project is an open source MPI-2 implementation."""
 toolchain = {'name': 'GCC', 'version': '10.2.0'}
 
 source_urls = ['https://github.com/open-mpi/ompi/archive/']
-sources = ['v4.0.4.tar.gz']
+sources = ['v4.0.5.tar.gz']
 
 dependencies = [
     ('hwloc', '2.2.0'),

o/OpenMPI/OpenMPI-4.1.1-GCC-10.2.0-Java-1.8.0_221.eb

@@ -0,0 +1,64 @@
+# IT4Innovations 2021
+# LK
+
+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.1'
+versionsuffix= '-Java-1.8.0_221'
+
+homepage = 'http://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-2 implementation."""
+
+toolchain = {'name': 'GCC', 'version': '10.2.0'}
+
+source_urls = ['https://github.com/open-mpi/ompi/archive/refs/tags/']
+sources = ['v%(version)s.tar.gz']
+
+dependencies = [
+    ('hwloc', '2.2.0'),
+    ('UCX', '1.9.0',),
+    ('Java', '1.8.0_221', '', True),
+]
+
+preconfigopts = './autogen.pl && '
+
+configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs '
+configopts += '--enable-mpirun-prefix-by-default '
+configopts += '--with-hwloc=$EBROOTHWLOC '  # hwloc support
+configopts += '--with-tm=/opt/pbs '  # Enable PBS
+configopts += '--enable-mpi-cxx '  # Enable building the C++ MPI bindings
+configopts += '--with-ucx=$EBROOTUCX '
+configopts += '--enable-mpi-java '  # Java support RT#28536
+
+osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')]
+
+postinstallcmds = [
+    'echo "# By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default." >> %(installdir)s/etc/openmpi-mca-params.conf',
+    'echo "btl_openib_allow_ib = true" >> %(installdir)s/etc/openmpi-mca-params.conf',
+]
+
+libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
+sanity_check_paths = {
+    'files': [
+        "bin/%s" %
+        binfile for binfile in [
+            "ompi_info", "opal_wrapper", "orterun"]] + [
+                "lib/lib%s.%s" %
+                (libfile, SHLIB_EXT) for libfile in libs] + [
+                    "include/%s.h" %
+                    x for x in [
+                        "mpi-ext", "mpif-config", "mpif", "mpi", "mpi_portable_platform"]], 'dirs': [], }
+
+import os
+if os.environ.get("CLUSTERNAME") in ["BARBORA"]:
+   modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
+                'OMPI_MCA_btl_tcp_if_include': '10.33.4.0/24',
+                'OMPI_MCA_orte_base_help_aggregate': '0',
+   }
+else:
+   modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx4_0',
+                'OMPI_MCA_oob_tcp_if_include': '10.0.0.0/8',
+   }
+
+moduleclass = 'mpi'