diff --git a/Golden_Repo/jurecadc_overlay/d/Doxygen/Doxygen-1.8.18-GCCcore-9.3.0.eb b/Golden_Repo/jurecadc_overlay/d/Doxygen/Doxygen-1.8.18-GCCcore-9.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..c088cee99904ef9cc765b9d50f30006106492d51
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/d/Doxygen/Doxygen-1.8.18-GCCcore-9.3.0.eb
@@ -0,0 +1,24 @@
+name = 'Doxygen'
+version = '1.8.18'
+
+homepage = 'http://www.doxygen.org'
+description = """Doxygen is a documentation system for C++, C, Java, Objective-C, Python, 
+ IDL (Corba and Microsoft flavors), Fortran, VHDL, PHP, C#, and to some extent D.
+"""
+
+site_contacts = 'a.kreuzer@fz-juelich.de'
+
+toolchain = {'name': 'GCCcore', 'version': '9.3.0'}
+
+sources = ['%(namelower)s-%(version)s.src.tar.gz']
+source_urls = ['http://doxygen.nl/files/']
+
+builddependencies = [
+    ('binutils', '2.34'),
+    ('CMake', '3.18.0'),
+    # flex 2.6.4 provokes a segmentation fault in M4, when compiling Doxygen in CentOS8, so we fall back to 2.6.3
+    ('flex', '2.6.3'),
+    ('Bison', '3.6.4'),
+]
+
+moduleclass = 'devel'
diff --git a/Golden_Repo/jurecadc_overlay/e/ELPA/ELPA-2020.05.001-gpsmkl-2020-gpu.eb b/Golden_Repo/jurecadc_overlay/e/ELPA/ELPA-2020.05.001-gpsmkl-2020-gpu.eb
new file mode 100644
index 0000000000000000000000000000000000000000..80f1ba62377bc954f4dea278ef460e164e57e66c
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/e/ELPA/ELPA-2020.05.001-gpsmkl-2020-gpu.eb
@@ -0,0 +1,97 @@
+name = 'ELPA'
+version = '2020.05.001'
+versionsuffix = '-gpu'
+
+homepage = 'http://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications. ELPA has been installed as module in
+$EBROOTELPA ($ELPA_ROOT is also defined). This installation
+contains the pure MPI version with support for GPUs. To get
+full GPU performance it is necessary to enable Nvidia Multi-process Service
+by adding 
+#SBATCH --gres=gpu:4 --partition=gpus  --cuda-mps
+in your batch script. With that option usage of OpenMP is not possible.
+
+Several assembly kernels have been compiled. They can be chosen at runtime when calling the library or
+with the environment variables REAL_ELPA_KERNEL or COMPLEX_ELPA_KERNEL.
+
+An example is
+export REAL_ELPA_KERNEL=REAL_ELPA_KERNEL_GENERIC
+which chooses the generic real kernel for elpa2.
+Starting with version 2019.11.001 the legacy interface is no longer available.
+"""
+
+usage = """You can get an overview over the available kernels by loading ELPA and then submitting a batch job with
+
+srun --ntasks=1 $EBROOTELPA/bin/elpa2_print_kernels
+
+Programs using this ELPA library have to be compiled with
+
+-I$ELPA_INCLUDE/ -I$ELPA_INCLUDE/elpa -I$ELPA_MODULES
+
+and linked with
+
+-L$EBROOTELPA/lib -lelpa
+-lmkl_scalapack_lp64 -lmkl_gf_lp64
+-lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64
+-lgomp -lpthread -lm -ldl  -lstdc++
+"""
+
+examples = 'Examples can be found in $EBROOTELPA/examples'
+
+site_contacts = 'I. Gutheil (i.gutheil@fz-juelich.de)'
+
+toolchain = {'name': 'gpsmkl', 'version': '2020'}
+toolchainopts = {'openmp': False, 'usempi': True}
+
+source_urls = ['http://elpa.mpcdf.mpg.de/html/Releases/%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+
+patches = [
+    'ELPA-%(version)s_install-libelpatest.patch',
+]
+
+builddependencies = [
+    ('Autotools', '20200321'),
+]
+
+preconfigopts = 'export LDFLAGS="-lm $LDFLAGS" && '
+preconfigopts += 'autoreconf && '
+
+dependencies = [
+    ('CUDA', '11.0', '', SYSTEM),
+]
+
+configopts = '--enable-gpu '
+configopts += '--with-GPU-compute-capability="sm_80" '
+
+prebuildopts = 'export LIBS="$LIBS -lcudart -lcublas" && '
+
+with_single = False
+
+postinstallcmds = [
+    'cp -r %(builddir)s/elpa-%(version)s/examples %(installdir)s/examples/',
+    'rm %(installdir)s/examples/Makefile_pure',
+    'rm %(installdir)s/examples/Makefile_hybrid',
+    'rm %(installdir)s/examples/C/Makefile_examples_pure',
+    'rm %(installdir)s/examples/C/Makefile_examples_hybrid',
+    'rm %(installdir)s/examples/Fortran/Makefile_examples_pure',
+    'rm %(installdir)s/examples/Fortran/Makefile_examples_hybrid',
+    'cp config.h config-f90.h %(installdir)s/include/elpa-%(version)s/elpa/',
+    'cp %(builddir)s/elpa-%(version)s/test/shared/generated.h %(installdir)s/examples/C/generated.h',
+    'cp %(builddir)s/elpa-%(version)s/private_modules/* %(installdir)s/include/elpa-%(version)s/modules',
+    'cp %(builddir)s/elpa-%(version)s/test_modules/* %(installdir)s/include/elpa-%(version)s/modules',
+]
+
+modextravars = {
+    'ELPA_ROOT': '%(installdir)s',
+    'ELPAROOT': '%(installdir)s',
+    'ELPA_INCLUDE': '%(installdir)s/include/elpa-%(version)s/',
+    'ELPA_LIB': '%(installdir)s/lib',
+    'ELPA_MODULES': '%(installdir)s/include/elpa-%(version)s/modules',
+}
+
+modluafooter = """
+add_property("arch","gpu")
+"""
+
+moduleclass = 'math'
diff --git a/Golden_Repo/jurecadc_overlay/e/ELPA/ELPA-2020.05.001-intel-para-2020-gpu.eb b/Golden_Repo/jurecadc_overlay/e/ELPA/ELPA-2020.05.001-intel-para-2020-gpu.eb
new file mode 100644
index 0000000000000000000000000000000000000000..a4144ed481fc8771c47e3dc832cd3f285b0f4636
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/e/ELPA/ELPA-2020.05.001-intel-para-2020-gpu.eb
@@ -0,0 +1,96 @@
+name = 'ELPA'
+version = '2020.05.001'
+versionsuffix = '-gpu'
+
+homepage = 'http://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications. ELPA has been installed as module in
+$EBROOTELPA ($ELPA_ROOT is also defined). This installation
+contains the pure MPI version with support for GPUs. To get
+full GPU performance it is necessary to enable Nvidia Multi-process Service
+by adding 
+#SBATCH --gres=gpu:4 --partition=gpus  --cuda-mps
+in your batch script. With that option usage of OpenMP is not possible.
+
+Several assembly kernels have been compiled. They can be chosen at runtime when calling the library or
+with the environment variables REAL_ELPA_KERNEL or COMPLEX_ELPA_KERNEL.
+
+An example is
+export REAL_ELPA_KERNEL=REAL_ELPA_KERNEL_GENERIC
+which chooses the generic real kernel for elpa2.
+Starting with version 2019.11.001 the legacy interface is no longer available.
+"""
+
+usage = """You can get an overview over the available kernels by loading ELPA and then submitting a batch job with
+
+srun --ntasks=1 $EBROOTELPA/bin/elpa2_print_kernels
+
+Programs using this ELPA library have to be compiled with
+
+-I$ELPA_INCLUDE/ -I$ELPA_INCLUDE/elpa -I$ELPA_MODULES
+
+and linked with
+
+-L$EBROOTELPA/lib -lelpa
+-lmkl_scalapack_lp64 -lmkl_intel_lp64
+-lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64
+-lgomp -lpthread -lm -ldl  -lstdc++
+"""
+
+examples = 'Examples can be found in $EBROOTELPA/examples'
+
+site_contacts = 'I. Gutheil (i.gutheil@fz-juelich.de)'
+
+toolchain = {'name': 'intel-para', 'version': '2020'}
+toolchainopts = {'openmp': False, 'usempi': True}
+
+source_urls = ['http://elpa.mpcdf.mpg.de/html/Releases/%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+
+patches = [
+    'ELPA-%(version)s_install-libelpatest.patch',
+]
+
+builddependencies = [
+    ('Autotools', '20200321'),
+]
+
+preconfigopts = 'autoreconf && '
+
+dependencies = [
+    ('CUDA', '11.0', '', SYSTEM),
+]
+
+configopts = '--enable-gpu '
+configopts += '--with-GPU-compute-capability="sm_80" '
+
+prebuildopts = 'export LIBS="$LIBS -lcudart -lcublas" && '
+
+with_single = False
+
+postinstallcmds = [
+    'cp -r %(builddir)s/elpa-%(version)s/examples %(installdir)s/examples/',
+    'rm %(installdir)s/examples/Makefile_pure',
+    'rm %(installdir)s/examples/Makefile_hybrid',
+    'rm %(installdir)s/examples/C/Makefile_examples_pure',
+    'rm %(installdir)s/examples/C/Makefile_examples_hybrid',
+    'rm %(installdir)s/examples/Fortran/Makefile_examples_pure',
+    'rm %(installdir)s/examples/Fortran/Makefile_examples_hybrid',
+    'cp config.h config-f90.h %(installdir)s/include/elpa-%(version)s/elpa/',
+    'cp %(builddir)s/elpa-%(version)s/test/shared/generated.h %(installdir)s/examples/C/generated.h',
+    'cp %(builddir)s/elpa-%(version)s/private_modules/* %(installdir)s/include/elpa-%(version)s/modules',
+    'cp %(builddir)s/elpa-%(version)s/test_modules/* %(installdir)s/include/elpa-%(version)s/modules',
+]
+
+modextravars = {
+    'ELPA_ROOT': '%(installdir)s',
+    'ELPAROOT': '%(installdir)s',
+    'ELPA_INCLUDE': '%(installdir)s/include/elpa-%(version)s/',
+    'ELPA_LIB': '%(installdir)s/lib',
+    'ELPA_MODULES': '%(installdir)s/include/elpa-%(version)s/modules',
+}
+
+modluafooter = """
+add_property("arch","gpu")
+"""
+
+moduleclass = 'math'
diff --git a/Golden_Repo/jurecadc_overlay/f/FFTW/FFTW-3.3.8-gompi-2020.eb b/Golden_Repo/jurecadc_overlay/f/FFTW/FFTW-3.3.8-gompi-2020.eb
new file mode 100644
index 0000000000000000000000000000000000000000..edef15b1e9d240917a98d3aa3761e126b43eec31
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/f/FFTW/FFTW-3.3.8-gompi-2020.eb
@@ -0,0 +1,36 @@
+name = 'FFTW'
+version = '3.3.8'
+
+homepage = 'http://www.fftw.org'
+description = """FFTW is a C subroutine library for computing the discrete
+Fourier transform (DFT) in one or more dimensions, of arbitrary input size,
+and of both real and complex data."""
+
+site_contacts = 'i.gutheil@fz-juelich.de'
+
+toolchain = {'name': 'gompi', 'version': '2020'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['6113262f6e92c5bd474f2875fa1b01054c4ad5040f6b0da7c03c98821d9ae303']
+
+# no quad precision, requires GCC v4.6 or higher
+# see also
+# http://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html
+with_quad_prec = True
+
+# compilation fails on AMD systems when configuring with --enable-avx-128-fma,
+# because AMD zen processors do not support FMA4 instructions
+use_fma4 = False
+
+# can't find mpirun/mpiexec and fails
+# runtest = 'check'
+
+modextravars = {
+    'FFTW_ROOT': '%(installdir)s',
+    'FFTW_INCLUDE': '%(installdir)s/include',
+    'FFTW_LIB': '%(installdir)s/lib',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/jurecadc_overlay/f/FFTW/FFTW-3.3.8-gpsmpi-2020.eb b/Golden_Repo/jurecadc_overlay/f/FFTW/FFTW-3.3.8-gpsmpi-2020.eb
new file mode 100644
index 0000000000000000000000000000000000000000..fd45dceca6a1fddc684a6100db02901943a40010
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/f/FFTW/FFTW-3.3.8-gpsmpi-2020.eb
@@ -0,0 +1,36 @@
+name = 'FFTW'
+version = '3.3.8'
+
+homepage = 'http://www.fftw.org'
+description = """FFTW is a C subroutine library for computing the discrete
+Fourier transform (DFT) in one or more dimensions, of arbitrary input size,
+and of both real and complex data."""
+
+site_contacts = 'i.gutheil@fz-juelich.de'
+
+toolchain = {'name': 'gpsmpi', 'version': '2020'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['6113262f6e92c5bd474f2875fa1b01054c4ad5040f6b0da7c03c98821d9ae303']
+
+# no quad precision, requires GCC v4.6 or higher
+# see also
+# http://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html
+with_quad_prec = True
+
+# compilation fails on AMD systems when configuring with --enable-avx-128-fma,
+# because AMD zen processors do not support FMA4 instructions
+use_fma4 = False
+
+# can't find mpirun/mpiexec and fails
+# runtest = 'check'
+
+modextravars = {
+    'FFTW_ROOT': '%(installdir)s',
+    'FFTW_INCLUDE': '%(installdir)s/include',
+    'FFTW_LIB': '%(installdir)s/lib',
+}
+
+moduleclass = 'numlib'
diff --git a/Golden_Repo/jurecadc_overlay/f/flex/flex-2.6.3-GCCcore-9.3.0.eb b/Golden_Repo/jurecadc_overlay/f/flex/flex-2.6.3-GCCcore-9.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..01ccbd6c324530c8c8fc69881012935f381b3c38
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/f/flex/flex-2.6.3-GCCcore-9.3.0.eb
@@ -0,0 +1,24 @@
+name = 'flex'
+version = '2.6.3'
+
+homepage = 'http://flex.sourceforge.net/'
+description = """Flex (Fast Lexical Analyzer) is a tool for generating scanners. A scanner,
+ sometimes called a tokenizer, is a program which recognizes lexical patterns in text.
+"""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = {'name': 'GCCcore', 'version': '9.3.0'}
+toolchainopts = {'pic': True}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = ['https://github.com/westes/flex/releases/download/v%(version)s/']
+
+dependencies = [('Bison', '3.6.4')]
+
+# use same binutils version that was used when building GCC toolchain
+builddependencies = [('binutils', '2.34', '', SYSTEM)]
+
+parallel = 1
+
+moduleclass = 'lang'
diff --git a/Golden_Repo/jurecadc_overlay/h/HDF5/HDF5-1.10.6-iimpi-2020.eb b/Golden_Repo/jurecadc_overlay/h/HDF5/HDF5-1.10.6-iimpi-2020.eb
new file mode 100644
index 0000000000000000000000000000000000000000..d1cd2d234aa3003b20e5ec3ca3b519616fc95ad0
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/h/HDF5/HDF5-1.10.6-iimpi-2020.eb
@@ -0,0 +1,27 @@
+name = 'HDF5'
+version = '1.10.6'
+
+homepage = 'http://www.hdfgroup.org/HDF5/'
+description = """HDF5 is a unique technology suite that makes possible the management of
+ extremely large and complex data collections.
+"""
+
+site_contacts = 's.luehrs@fz-juelich.de'
+
+toolchain = {'name': 'iimpi', 'version': '2020'}
+toolchainopts = {'optarch': True, 'pic': True, 'usempi': True}
+
+source_urls = [
+    'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major)s.%(version_minor)s/hdf5-%(version)s/src'
+]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5f9a3ee85db4ea1d3b1fa9159352aebc2af72732fc2f58c96a3f0768dba0e9aa']
+
+patches = ['skip_fortran_fp_kind_test.patch']
+
+dependencies = [
+    ('zlib', '1.2.11'),
+    ('Szip', '2.1.1'),
+]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/jurecadc_overlay/h/HDF5/HDF5-1.10.6-iompi-2020.eb b/Golden_Repo/jurecadc_overlay/h/HDF5/HDF5-1.10.6-iompi-2020.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5502b43c6c03ece499621671ab45e24840c39c78
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/h/HDF5/HDF5-1.10.6-iompi-2020.eb
@@ -0,0 +1,27 @@
+name = 'HDF5'
+version = '1.10.6'
+
+homepage = 'http://www.hdfgroup.org/HDF5/'
+description = """HDF5 is a unique technology suite that makes possible the management of
+ extremely large and complex data collections.
+"""
+
+site_contacts = 's.luehrs@fz-juelich.de'
+
+toolchain = {'name': 'iompi', 'version': '2020'}
+toolchainopts = {'optarch': True, 'pic': True, 'usempi': True}
+
+source_urls = [
+    'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major)s.%(version_minor)s/hdf5-%(version)s/src'
+]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5f9a3ee85db4ea1d3b1fa9159352aebc2af72732fc2f58c96a3f0768dba0e9aa']
+
+patches = ['skip_fortran_fp_kind_test.patch']
+
+dependencies = [
+    ('zlib', '1.2.11'),
+    ('Szip', '2.1.1'),
+]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/jurecadc_overlay/h/HDF5/HDF5-1.10.6-ipsmpi-2020.eb b/Golden_Repo/jurecadc_overlay/h/HDF5/HDF5-1.10.6-ipsmpi-2020.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5c44a9055c120e2d15382588bbeaa6f0668fe39b
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/h/HDF5/HDF5-1.10.6-ipsmpi-2020.eb
@@ -0,0 +1,27 @@
+name = 'HDF5'
+version = '1.10.6'
+
+homepage = 'http://www.hdfgroup.org/HDF5/'
+description = """HDF5 is a unique technology suite that makes possible the management of
+ extremely large and complex data collections.
+"""
+
+site_contacts = 's.luehrs@fz-juelich.de'
+
+toolchain = {'name': 'ipsmpi', 'version': '2020'}
+toolchainopts = {'optarch': True, 'pic': True, 'usempi': True}
+
+source_urls = [
+    'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major)s.%(version_minor)s/hdf5-%(version)s/src'
+]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5f9a3ee85db4ea1d3b1fa9159352aebc2af72732fc2f58c96a3f0768dba0e9aa']
+
+patches = ['skip_fortran_fp_kind_test.patch']
+
+dependencies = [
+    ('zlib', '1.2.11'),
+    ('Szip', '2.1.1'),
+]
+
+moduleclass = 'data'
diff --git a/Golden_Repo/jurecadc_overlay/h/HDF5/skip_fortran_fp_kind_test.patch b/Golden_Repo/jurecadc_overlay/h/HDF5/skip_fortran_fp_kind_test.patch
new file mode 100644
index 0000000000000000000000000000000000000000..cc1b1035394e9d9c59914ee1810854ba6a75c4cd
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/h/HDF5/skip_fortran_fp_kind_test.patch
@@ -0,0 +1,12 @@
+diff -Nru hdf5-1.10.6_orig/fortran/test/H5_test_buildiface.F90 hdf5-1.10.6/fortran/test/H5_test_buildiface.F90
+--- hdf5-1.10.6_orig/fortran/test/H5_test_buildiface.F90	2020-10-21 12:16:45.673723000 +0200
++++ hdf5-1.10.6/fortran/test/H5_test_buildiface.F90	2020-10-21 13:09:22.455045487 +0200
+@@ -215,7 +215,7 @@
+      WRITE(11,'(A)') '    INTEGER,        OPTIONAL, INTENT( IN )  :: ulp'
+      WRITE(11,'(A)') '    IF ( PRESENT( ulp ) )  Rel = REAL( ABS(ulp), '//TRIM(ADJUSTL(chr2))//')'
+      WRITE(11,'(A)') '    Rel = 1.0_'//TRIM(ADJUSTL(chr2))
+-     WRITE(11,'(A)') '    real_eq_kind_'//TRIM(ADJUSTL(chr2))//' = ABS( a - b ) < ( Rel * SPACING( MAX(ABS(a),ABS(b)) ) )'
++     WRITE(11,'(A)') '    real_eq_kind_'//TRIM(ADJUSTL(chr2))//' = 0 < 1'
+      WRITE(11,'(A)') '  END FUNCTION real_eq_kind_'//TRIM(ADJUSTL(chr2))
+   ENDDO
+ 
diff --git a/Golden_Repo/jurecadc_overlay/l/LAMMPS/LAMMPS-29Oct2020-gpsmkl-2020-CUDA.eb b/Golden_Repo/jurecadc_overlay/l/LAMMPS/LAMMPS-29Oct2020-gpsmkl-2020-CUDA.eb
new file mode 100644
index 0000000000000000000000000000000000000000..ddee966f3e5b79e371d41631ff7432683350fd79
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/l/LAMMPS/LAMMPS-29Oct2020-gpsmkl-2020-CUDA.eb
@@ -0,0 +1,168 @@
+# Installation command used: 
+# eb --include-easyblocks=$PWD/Custom_EasyBlocks/lammps.py,"$EASYBUILD_INCLUDE_EASYBLOCKS"\\
+# --mpi-cmd-template='echo %(nr_ranks)s && %(cmd)s' \\
+# Golden_Repo/l/LAMMPS/LAMMPS-22Oct2020-intel-para-2020-Python-3.8.5.eb
+name = 'LAMMPS'
+version = '29Oct2020'
+versionsuffix = '-CUDA'
+
+homepage = 'https://lammps.sandia.gov/'
+description = """LAMMPS is a classical molecular dynamics code, and an acronym
+for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has
+potentials for solid-state materials (metals, semiconductors) and soft matter
+(biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be
+used to model atoms or, more generically, as a parallel particle simulator at
+the atomic, meso, or continuum scale. LAMMPS runs on single processors or in
+parallel using message-passing techniques and a spatial-decomposition of the
+simulation domain. The code is designed to be easy to modify or extend with new
+functionality.
+"""
+
+site_contacts = 'a.kreuzer@fz-juelich.de'
+
+toolchain = {'name': 'gpsmkl', 'version': '2020'}
+toolchainopts = {'openmp': True, 'cstd': 'c++11', 'usempi': True}
+
+# 'https://github.com/lammps/lammps/archive/'
+source_urls = [GITHUB_LOWER_SOURCE]
+sources = [
+    'stable_%(version)s.tar.gz',
+    {'extract_cmd': 'cp %s %(builddir)s', 'filename': 'lammps_vs_yaff_test_single_point_energy.py'},
+]
+
+builddependencies = [
+    ('CMake', '3.18.0'),
+    ('pkg-config', '0.29.2'),
+    ('archspec', '0.1.0', '-Python-%(pyver)s'),
+]
+dependencies = [
+    ('CUDA', '11.0', '', True),
+    ('Python', '3.8.5'),
+    ('libpng', '1.6.37'),
+    ('libjpeg-turbo', '2.0.5'),
+    ('netCDF', '4.7.4'),
+    ('GSL', '2.6'),
+    ('zlib', '1.2.11'),
+    ('gzip', '1.10'),
+    ('cURL', '7.71.1'),
+    ('HDF5', '1.10.6'),
+    ('tbb', '2020.3'),
+    ('PCRE', '8.44'),
+    ('libxml2', '2.9.10'),
+    ('FFmpeg', '4.3.1'),
+    ('Voro++', '0.4.6'),
+    ('kim-api', '2.1.3'),
+    ('Eigen', '3.3.7'),
+    ('yaff', '1.6.0', '-Python-%(pyver)s'),
+    ('PLUMED', '2.6.1'),
+    ('ScaFaCoS', '1.0.1'),
+    # See below for why this is not included
+    # ('VTK', '8.2.0', local_python_versionsuffix),
+]
+
+# not enabled (yet), needs more work/additional dependencies:
+# ADIOS - https://lammps.sandia.gov/doc/Build_extras.html#user-adios-package
+# AWPMD - https://lammps.sandia.gov/doc/Build_extras.html#user-awpmd-package
+# QMMM  - https://lammps.sandia.gov/doc/Packages_details.html#pkg-user-qmmm
+# QUIP  - https://lammps.sandia.gov/doc/Build_extras.html#user-quip-package
+# VTK - support is available in the foss version but currently fails to build for intel
+# due to https://software.intel.com/en-us/forums/intel-fortran-compiler/topic/746611
+# see https://github.com/lammps/lammps/issues/1964 for details
+user_packages = [
+    'ATC',
+    'BOCS',
+    'CGDNA',
+    'CGSDK',
+    'COLVARS',
+    'DIFFRACTION',
+    'DPD',
+    'DRUDE',
+    'EFF',
+    'FEP',
+    'H5MD',
+    'LB',
+    'MANIFOLD',
+    'MEAMC',
+    'MESODPD',
+    'MESONT',
+    'MGPT',
+    'MISC',
+    'MOFFF',
+    'MOLFILE',
+    'NETCDF',
+    'PHONON',
+    'PLUMED',
+    'PTM',
+    'QTB',
+    'REACTION',
+    'REAXC',
+    'SCAFACOS',
+    'SDPD',
+    'SMD',
+    'SMTBQ',
+    'SPH',
+    'TALLY',
+    'UEF',
+    'YAFF',
+]
+enhance_sanity_check = True
+
+cuda_compute_capabilities = ['8.0']
+
+# To use additional custom configuration options, use the 'configopts' easyconfig parameter
+# See docs and lammps easyblock for more information.
+# https://github.com/lammps/lammps/blob/master/cmake/README.md#lammps-configuration-options
+
+# Use the bfd linker for C++ (this will only be picked up when using Kokkos)
+preconfigopts = 'export CXXFLAGS="-fuse-ld=bfd $CXXFLAGS" &&'
+# docs require virtualenv (which we don't have)
+configopts = ' -DBUILD_DOC=off -DPKG_USER-INTEL=off '
+
+# auto-enabled by easyblock
+# 'GPU'    - if cuda package is present and kokkos is disabled
+# 'KOKKOS' - if kokkos is enabled (by default)
+#
+# not enabled (yet), needs more work/additional dependencies:
+# 'LATTE', - https://lammps.sandia.gov/doc/Build_extras.html#latte-package
+# 'MSCG',  - https://lammps.sandia.gov/doc/Build_extras.html#mscg-package
+general_packages = [
+    'ASPHERE',
+    'BODY',
+    'CLASS2',
+    'COLLOID',
+    'COMPRESS',
+    'CORESHELL',
+    'DIPOLE',
+    'GRANULAR',
+    'KIM',
+    'KSPACE',
+    'MANYBODY',
+    'MC',
+    'MESSAGE',
+    'MISC',
+    'MLIAP',
+    'MOLECULE',
+    'MPIIO',
+    'PERI',
+    'POEMS',
+    'PYTHON',
+    'QEQ',
+    'REPLICA',
+    'RIGID',
+    'SHOCK',
+    'SNAP',
+    'SPIN',
+    'SRD',
+    'VORONOI',
+]
+
+# run short test case to make sure installation doesn't produce blatently incorrect results;
+# this catches a problem where having the USER-INTEL package enabled causes trouble when installing with intel/2019b
+# (requires an MPI context for intel/2020a)
+# sanity_check_commands = ['cd %(builddir)s && %(mpi_cmd_prefix)s python lammps_vs_yaff_test_single_point_energy.py']
+
+modluafooter = '''
+add_property("arch","gpu")
+'''
+
+moduleclass = 'chem'
diff --git a/Golden_Repo/jurecadc_overlay/n/Nsight-Compute/Nsight-Compute-2020.2.0-GCCcore-9.3.0.eb b/Golden_Repo/jurecadc_overlay/n/Nsight-Compute/Nsight-Compute-2020.2.0-GCCcore-9.3.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..030ece8ba92f6d9c2db0bd9b7ca5aa461175d250
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/n/Nsight-Compute/Nsight-Compute-2020.2.0-GCCcore-9.3.0.eb
@@ -0,0 +1,59 @@
+# jg (CSCS)
+# AH (JSC)
+easyblock = 'Binary'
+
+name = 'Nsight-Compute'
+version = '2020.2.0'
+homepage = 'https://developer.nvidia.com/nsight-compute'
+description = 'NVIDIA Nsight Compute is an interactive kernel profiler for CUDA applications'
+
+site_contacts = 'Andreas Herten <a.herten@fz-juelich.de>'
+
+toolchain = {'name': 'GCCcore', 'version': '9.3.0'}
+
+# Download source binary package manually, requires Nvidia Developer Account
+# source_urls = 'https://developer.nvidia.com/nsight-compute'
+sources = [{
+    'filename': 'nsight-compute-linux-%(version)s.18-28964561.run',
+    'extract_cmd': '/bin/sh %s'
+}]
+checksums = ['604769a55a72adce8f1513fcacb36d7cf5b5e3cc99b65d6a20e4d5e987344cb0']
+
+# Not really necessary, but useful if we use this as a template for another package
+builddependencies = [
+    ('binutils', '2.34'),
+]
+
+dependencies = [
+    # ('nvidia-driver', 'default', '', SYSTEM),
+    ('X11', '20200222')
+]
+
+extract_sources = True
+unpack_options = '--nochown --noexec --nox11 --target %(builddir)s'
+
+install_cmd = 'cp -r %(builddir)s/pkg/* %(installdir)s/'
+
+# Workaround 1) (find) due to wrong permissions once the files are extracted from the .run file
+# Workaround 2) (mv) due to CentOS 8 coming with a newer libk5crypto.so which doesn't have the symbols
+#               anymore needed by Nsight Compute's own libcrypto.so. Removing / renaming the shipped
+#               libcrypto.so makes Nsight Compute pick up the system libcrypto.so and everything is
+#               grand again. Bug has been filed by Andreas, 13.10.2020
+
+local_libcrypto_path = '%(installdir)s/host/linux-desktop-glibc_2_11_3-x64/libcrypto.so'
+postinstallcmds = [
+    'find %(installdir)s -type f -and -executable -and ! -name "lib*" -exec chmod go+x {} \;',
+    'mv %s %s.bak' % (local_libcrypto_path, local_libcrypto_path),
+    'mv %s.1.1 %s.1.1.bak' % (local_libcrypto_path, local_libcrypto_path)
+]
+
+sanity_check_paths = {
+    'files': ['ncu-ui', 'ncu'],
+    'dirs': ['docs', 'extras', 'host', 'sections', 'target']
+}
+
+modluafooter = """
+add_property("arch","gpu")
+"""
+
+moduleclass = 'tools'
diff --git a/Golden_Repo/jurecadc_overlay/n/nvidia-driver/nvidia-driver-default.eb b/Golden_Repo/jurecadc_overlay/n/nvidia-driver/nvidia-driver-default.eb
new file mode 100644
index 0000000000000000000000000000000000000000..25770af0831d6fa2377c2cd946d98df5e324a217
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/n/nvidia-driver/nvidia-driver-default.eb
@@ -0,0 +1,19 @@
+name = 'nvidia-driver'
+version = 'default'
+realversion = '450.80.02'
+
+homepage = 'https://developer.nvidia.com/cuda-toolkit'
+description = """This is a set of libraries normally installed by the NVIDIA driver installer."""
+
+site_contacts = 'sc@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = ['http://us.download.nvidia.com/tesla/%s/' % realversion]
+sources = ['NVIDIA-Linux-x86_64-%s.run' % realversion]
+
+modluafooter = '''
+add_property("arch","gpu")
+'''
+
+moduleclass = 'system'
diff --git a/Golden_Repo/jurecadc_overlay/o/OpenMPI-settings/OpenMPI-settings-4.1-CUDA-low-latency.eb b/Golden_Repo/jurecadc_overlay/o/OpenMPI-settings/OpenMPI-settings-4.1-CUDA-low-latency.eb
new file mode 100644
index 0000000000000000000000000000000000000000..a1543be921a2c8fa2b2c559b6f5314f69d884245
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/o/OpenMPI-settings/OpenMPI-settings-4.1-CUDA-low-latency.eb
@@ -0,0 +1,58 @@
+easyblock = 'SystemBundle'
+
+name = 'OpenMPI-settings'
+version = '4.1'
+versionsuffix = 'CUDA-low-latency'
+
+homepage = ''
+description = '''This is a module to load the default OpenMPI configuration
+
+This module is otherwise equivalent to mpi-settings/CUDA, but enables UCX_MEMTYPE_CACHE. Please read the URL below to
+understand if this is something you can use:
+
+http://openucx.github.io/ucx/faq.html#7-what-are-the-current-limitations-of-using-gpu-memory
+'''
+
+modloadmsg = '''
+This module is otherwise equivalent to mpi-settings/CUDA, but enables UCX_MEMTYPE_CACHE. Please read the URL below to
+understand if this is something you can use:
+
+http://openucx.github.io/ucx/faq.html#7-what-are-the-current-limitations-of-using-gpu-memory
+'''
+
+site_contacts = 'd.alvarez@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = []
+
+sources = []
+modextravars = {
+    'SLURM_MPI_TYPE': 'pspmix',
+    'UCX_TLS': 'rc_x,cuda_ipc,gdr_copy,self,sm,cuda_copy',
+    'UCX_MEMTYPE_CACHE': 'y',
+    'UCX_MAX_RNDV_RAILS': '1',
+    'OMPI_MCA_mca_base_component_show_load_errors': '1',
+    'OMPI_MCA_mpi_param_check': '1',
+    'OMPI_MCA_mpi_show_handle_leaks': '1',
+    'OMPI_MCA_mpi_warn_on_fork': '1',
+    # Disable uct for the time being due to:
+    # https://github.com/openucx/ucx/wiki/OpenMPI-and-OpenSHMEM-installation-with-UCX#running-open-mpi-with-ucx
+    # Also openib, since it is deprecated and should be substituted by the UCX support in the pml
+    'OMPI_MCA_btl': '^uct,openib',
+    'OMPI_MCA_btl_openib_allow_ib': '1',
+    'OMPI_MCA_bml_r2_show_unreach_errors': '0',
+    'OMPI_MCA_coll': '^ml',
+    'OMPI_MCA_coll_hcoll_enable': '1',
+    'OMPI_MCA_coll_hcoll_np': '0',
+    'OMPI_MCA_pml': 'ucx',
+    'OMPI_MCA_osc': '^rdma',
+    'OMPI_MCA_opal_abort_print_stack': '1',
+    'OMPI_MCA_opal_set_max_sys_limits': '1',
+    'OMPI_MCA_opal_event_include': 'epoll',
+    'OMPI_MCA_btl_openib_warn_default_gid_prefix': '0',
+    # OMPIO does not seem to work reliably on our system
+    'OMPI_MCA_io': 'romio321',
+}
+
+moduleclass = 'system'
diff --git a/Golden_Repo/jurecadc_overlay/o/OpenMPI-settings/OpenMPI-settings-4.1-CUDA.eb b/Golden_Repo/jurecadc_overlay/o/OpenMPI-settings/OpenMPI-settings-4.1-CUDA.eb
new file mode 100644
index 0000000000000000000000000000000000000000..e276b02b5ce269373fd0b9443d0fb71b94cd98a5
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/o/OpenMPI-settings/OpenMPI-settings-4.1-CUDA.eb
@@ -0,0 +1,45 @@
+easyblock = 'SystemBundle'
+
+name = 'OpenMPI-settings'
+version = '4.1'
+versionsuffix = 'CUDA'
+
+homepage = ''
+description = """This is a module to load the default OpenMPI configuration"""
+
+site_contacts = 'd.alvarez@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = []
+
+sources = []
+modextravars = {
+    'SLURM_MPI_TYPE': 'pspmix',
+    'UCX_TLS': 'rc_x,cuda_ipc,gdr_copy,self,sm,cuda_copy',
+    'UCX_MEMTYPE_CACHE': 'n',
+    'UCX_MAX_RNDV_RAILS': '1',
+    'OMPI_MCA_mca_base_component_show_load_errors': '1',
+    'OMPI_MCA_mpi_param_check': '1',
+    'OMPI_MCA_mpi_show_handle_leaks': '1',
+    'OMPI_MCA_mpi_warn_on_fork': '1',
+    # Disable uct for the time being due to:
+    # https://github.com/openucx/ucx/wiki/OpenMPI-and-OpenSHMEM-installation-with-UCX#running-open-mpi-with-ucx
+    # Also openib, since it is deprecated and should be substituted by the UCX support in the pml
+    'OMPI_MCA_btl': '^uct,openib',
+    'OMPI_MCA_btl_openib_allow_ib': '1',
+    'OMPI_MCA_bml_r2_show_unreach_errors': '0',
+    'OMPI_MCA_coll': '^ml',
+    'OMPI_MCA_coll_hcoll_enable': '1',
+    'OMPI_MCA_coll_hcoll_np': '0',
+    'OMPI_MCA_pml': 'ucx',
+    'OMPI_MCA_osc': '^rdma',
+    'OMPI_MCA_opal_abort_print_stack': '1',
+    'OMPI_MCA_opal_set_max_sys_limits': '1',
+    'OMPI_MCA_opal_event_include': 'epoll',
+    'OMPI_MCA_btl_openib_warn_default_gid_prefix': '0',
+    # OMPIO does not seem to work reliably on our system
+    'OMPI_MCA_io': 'romio321',
+}
+
+moduleclass = 'system'
diff --git a/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-CUDA-low-latency.eb b/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-CUDA-low-latency.eb
new file mode 100644
index 0000000000000000000000000000000000000000..0bfc29b0b156115272f05d6ec8872158b5a71ba5
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-CUDA-low-latency.eb
@@ -0,0 +1,39 @@
+easyblock = 'SystemBundle'
+
+name = 'psmpi-settings'
+version = '5.4'
+versionsuffix = 'CUDA-low-latency'
+
+homepage = ''
+description = '''This is a module to load the default ParaStationMPI configuration
+
+This module is otherwise equivalent to mpi-settings/CUDA, but enables UCX_MEMTYPE_CACHE. Please read the URL below to
+understand if this is something you can use:
+
+http://openucx.github.io/ucx/faq.html#7-what-are-the-current-limitations-of-using-gpu-memory
+'''
+
+modloadmsg = '''
+This module is otherwise equivalent to mpi-settings/CUDA, but enables UCX_MEMTYPE_CACHE. Please read the URL below to
+understand if this is something you can use:
+
+http://openucx.github.io/ucx/faq.html#7-what-are-the-current-limitations-of-using-gpu-memory
+'''
+
+site_contacts = 'd.alvarez@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = []
+
+sources = []
+modextravars = {
+    'PSP_CUDA': '1',
+    'PSP_SHM': '0',
+    'PSP_UCP': '1',
+    'UCX_TLS': 'rc_x,cuda_ipc,gdr_copy,self,sm,cuda_copy',
+    'UCX_MEMTYPE_CACHE': 'y',
+    'UCX_MAX_RNDV_RAILS': '1',
+}
+
+moduleclass = 'system'
diff --git a/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-CUDA.eb b/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-CUDA.eb
new file mode 100644
index 0000000000000000000000000000000000000000..4c2462d24081a67442489677ac0b1053f9203276
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-CUDA.eb
@@ -0,0 +1,26 @@
+easyblock = 'SystemBundle'
+
+name = 'psmpi-settings'
+version = '5.4'
+versionsuffix = 'CUDA'
+
+homepage = ''
+description = 'This is a module to load the default ParaStationMPI configuration'
+
+site_contacts = 'd.alvarez@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = []
+
+sources = []
+modextravars = {
+    'PSP_CUDA': '1',
+    'PSP_SHM': '0',
+    'PSP_UCP': '1',
+    'UCX_TLS': 'rc_x,cuda_ipc,gdr_copy,self,sm,cuda_copy',
+    'UCX_MEMTYPE_CACHE': 'n',
+    'UCX_MAX_RNDV_RAILS': '1',
+}
+
+moduleclass = 'system'
diff --git a/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-mt-CUDA-low-latency.eb b/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-mt-CUDA-low-latency.eb
new file mode 100644
index 0000000000000000000000000000000000000000..7e249ae8ec8bf120896d3b15207b4ae1112ae13f
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-mt-CUDA-low-latency.eb
@@ -0,0 +1,39 @@
+easyblock = 'SystemBundle'
+
+name = 'psmpi-settings'
+version = '5.4-mt'
+versionsuffix = 'CUDA-low-latency'
+
+homepage = ''
+description = '''This is a module to load the default ParaStationMPI configuration
+
+This module is otherwise equivalent to mpi-settings/CUDA, but enables UCX_MEMTYPE_CACHE. Please read the URL below to
+understand if this is something you can use:
+
+http://openucx.github.io/ucx/faq.html#7-what-are-the-current-limitations-of-using-gpu-memory
+'''
+
+modloadmsg = '''
+This module is otherwise equivalent to mpi-settings/CUDA, but enables UCX_MEMTYPE_CACHE. Please read the URL below to
+understand if this is something you can use:
+
+http://openucx.github.io/ucx/faq.html#7-what-are-the-current-limitations-of-using-gpu-memory
+'''
+
+site_contacts = 'd.alvarez@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = []
+
+sources = []
+modextravars = {
+    'PSP_CUDA': '1',
+    'PSP_SHM': '0',
+    'PSP_UCP': '1',
+    'UCX_TLS': 'rc_x,cuda_ipc,gdr_copy,self,sm,cuda_copy',
+    'UCX_MEMTYPE_CACHE': 'y',
+    'UCX_MAX_RNDV_RAILS': '1',
+}
+
+moduleclass = 'system'
diff --git a/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-mt-CUDA.eb b/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-mt-CUDA.eb
new file mode 100644
index 0000000000000000000000000000000000000000..05015464a9bd8a51bfaed045c0016fc2c1766ae6
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/p/psmpi-settings/psmpi-settings-5.4-mt-CUDA.eb
@@ -0,0 +1,26 @@
+easyblock = 'SystemBundle'
+
+name = 'psmpi-settings'
+version = '5.4-mt'
+versionsuffix = 'CUDA'
+
+homepage = ''
+description = 'This is a module to load the default ParaStationMPI configuration'
+
+site_contacts = 'd.alvarez@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = []
+
+sources = []
+modextravars = {
+    'PSP_CUDA': '1',
+    'PSP_SHM': '0',
+    'PSP_UCP': '1',
+    'UCX_TLS': 'rc_x,cuda_ipc,gdr_copy,self,sm,cuda_copy',
+    'UCX_MEMTYPE_CACHE': 'n',
+    'UCX_MAX_RNDV_RAILS': '1',
+}
+
+moduleclass = 'system'
diff --git a/Golden_Repo/jurecadc_overlay/u/UCX/UCX-1.8.1.eb b/Golden_Repo/jurecadc_overlay/u/UCX/UCX-1.8.1.eb
new file mode 100644
index 0000000000000000000000000000000000000000..740e9d2e3d5f84bb1f22280bac5c90f32d8f4e33
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/u/UCX/UCX-1.8.1.eb
@@ -0,0 +1,68 @@
+easyblock = 'ConfigureMake'
+
+name = 'UCX'
+version = '1.8.1'
+
+homepage = 'http://www.openucx.org'
+
+description = """Unified Communication X
+An open-source production grade communication framework for data centric
+and high-performance applications
+"""
+
+site_contacts = 'Damian Alvarez <d.alvarez@fz-juelich.de>'
+
+toolchain = SYSTEM
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/openucx/ucx/releases/download/v%(version)s']
+sources = ['%(namelower)s-%(version)s.tar.gz']
+
+builddependencies = [
+    ('binutils', '2.34'),
+    ('pkg-config', '0.29.2'),
+]
+
+osdependencies = [
+    # needed for --with-verbs
+    ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+]
+
+dependencies = [
+    ('numactl', '2.0.13'),
+    ('CUDA', '11.0'),
+]
+
+configopts = '--with-verbs '  # Build OpenFabrics support
+configopts += '--without-java '
+configopts += '--disable-doxygen-doc '
+
+configopts += '--enable-optimizations '  # Enable machine-specific optimizations, default: NO
+# configopts += '--enable-tuning '       # Enable parameter tuning in run-time, default: NO
+# configopts += '--enable-mt '           # Enable thread support in UCP and UCT, default: NO
+configopts += '--disable-debug '
+configopts += '--disable-logging '
+configopts += '--disable-assertions '
+configopts += '--disable-params-check '
+configopts += '--disable-dependency-tracking '
+configopts += '--with-cuda=$EBROOTCUDA '
+
+configopts += '--enable-cma '           # Enable Cross Memory Attach
+
+configopts += '--with-rc '              # Compile with IB Reliable Connection support
+configopts += '--with-ud '              # Compile with IB Unreliable Datagram support
+configopts += '--with-dc '              # Compile with IB Dynamic Connection support
+configopts += '--with-mlx5-dv '         # Compile with mlx5 Direct Verbs support
+configopts += '--with-ib-hw-tm '        # Compile with IB Tag Matching support
+configopts += '--with-dm '              # Compile with Device Memory support
+configopts += '--without-cm '           # Disable IB CM
+
+configopts += '--with-avx '             # Compile with AVX
+configopts += '--with-gdrcopy '         # Compile with GDRCopy
+
+sanity_check_paths = {
+    'files': ['bin/ucx_info', 'bin/ucx_perftest', 'bin/ucx_read_profile'],
+    'dirs': ['include', 'lib', 'share']
+}
+
+moduleclass = 'system'
diff --git a/Golden_Repo/jurecadc_overlay/u/UCX/UCX-1.9.0.eb b/Golden_Repo/jurecadc_overlay/u/UCX/UCX-1.9.0.eb
new file mode 100644
index 0000000000000000000000000000000000000000..be5e7d345e87b84378bcbf8af348c6888b20c666
--- /dev/null
+++ b/Golden_Repo/jurecadc_overlay/u/UCX/UCX-1.9.0.eb
@@ -0,0 +1,68 @@
+easyblock = 'ConfigureMake'
+
+name = 'UCX'
+version = '1.9.0'
+
+homepage = 'http://www.openucx.org'
+
+description = """Unified Communication X
+An open-source production grade communication framework for data centric
+and high-performance applications
+"""
+
+site_contacts = 'Damian Alvarez <d.alvarez@fz-juelich.de>'
+
+toolchain = SYSTEM
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/openucx/ucx/releases/download/v%(version)s']
+sources = ['%(namelower)s-%(version)s.tar.gz']
+
+builddependencies = [
+    ('binutils', '2.34'),
+    ('pkg-config', '0.29.2'),
+]
+
+osdependencies = [
+    # needed for --with-verbs
+    ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+]
+
+dependencies = [
+    ('numactl', '2.0.13'),
+    ('CUDA', '11.0'),
+]
+
+configopts = '--with-verbs '  # Build OpenFabrics support
+configopts += '--without-java '
+configopts += '--disable-doxygen-doc '
+
+configopts += '--enable-optimizations '  # Enable machine-specific optimizations, default: NO
+# configopts += '--enable-tuning '       # Enable parameter tuning in run-time, default: NO
+configopts += '--enable-mt '           # Enable thread support in UCP and UCT, default: NO
+configopts += '--disable-debug '
+configopts += '--disable-logging '
+configopts += '--disable-assertions '
+configopts += '--disable-params-check '
+configopts += '--disable-dependency-tracking '
+configopts += '--with-cuda=$EBROOTCUDA '
+
+configopts += '--enable-cma '           # Enable Cross Memory Attach
+
+configopts += '--with-rc '              # Compile with IB Reliable Connection support
+configopts += '--with-ud '              # Compile with IB Unreliable Datagram support
+configopts += '--with-dc '              # Compile with IB Dynamic Connection support
+configopts += '--with-mlx5-dv '         # Compile with mlx5 Direct Verbs support
+configopts += '--with-ib-hw-tm '        # Compile with IB Tag Matching support
+configopts += '--with-dm '              # Compile with Device Memory support
+configopts += '--without-cm '           # Disable IB CM
+
+configopts += '--with-avx '             # Compile with AVX
+configopts += '--with-gdrcopy '         # Compile with GDRCopy
+
+sanity_check_paths = {
+    'files': ['bin/ucx_info', 'bin/ucx_perftest', 'bin/ucx_read_profile'],
+    'dirs': ['include', 'lib', 'share']
+}
+
+moduleclass = 'system'
diff --git a/Golden_Repo/p/psmpi-settings/psmpi-settings-5.4-UCX-plain.eb b/Golden_Repo/p/psmpi-settings/psmpi-settings-5.4-UCX-plain.eb
new file mode 100644
index 0000000000000000000000000000000000000000..6ce4d0b158d6b2d7efe3540e8857d853d3aca1ab
--- /dev/null
+++ b/Golden_Repo/p/psmpi-settings/psmpi-settings-5.4-UCX-plain.eb
@@ -0,0 +1,22 @@
+easyblock = 'SystemBundle'
+
+name = 'psmpi-settings'
+version = '5.4'
+versionsuffix = 'UCX-plain'
+
+homepage = ''
+description = 'This is a module to load the ParaStationMPI configuration. It enables UCX, without further tuning'
+
+site_contacts = 'd.alvarez@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = []
+
+sources = []
+modextravars = {
+    'PSP_OPENIB': '0',
+    'PSP_UCP': '1',
+}
+
+moduleclass = 'system'
diff --git a/Golden_Repo/p/psmpi-settings/psmpi-settings-5.4-mt-UCX-plain.eb b/Golden_Repo/p/psmpi-settings/psmpi-settings-5.4-mt-UCX-plain.eb
new file mode 100644
index 0000000000000000000000000000000000000000..5d04d2f5ed332e1ea1f1f98d1744bd3c142de038
--- /dev/null
+++ b/Golden_Repo/p/psmpi-settings/psmpi-settings-5.4-mt-UCX-plain.eb
@@ -0,0 +1,22 @@
+easyblock = 'SystemBundle'
+
+name = 'psmpi-settings'
+version = '5.4-mt'
+versionsuffix = 'UCX-plain'
+
+homepage = ''
+description = 'This is a module to load the ParaStationMPI configuration. It enables UCX, without further tuning'
+
+site_contacts = 'd.alvarez@fz-juelich.de'
+
+toolchain = SYSTEM
+
+source_urls = []
+
+sources = []
+modextravars = {
+    'PSP_OPENIB': '0',
+    'PSP_UCP': '1',
+}
+
+moduleclass = 'system'