diff --git a/b/Boost.Python-NumPy/Boost.Python-NumPy-1.83.0-gfbf-2023b.eb b/b/Boost.Python-NumPy/Boost.Python-NumPy-1.83.0-gfbf-2023b.eb
new file mode 100644
index 00000000..52f47953
--- /dev/null
+++ b/b/Boost.Python-NumPy/Boost.Python-NumPy-1.83.0-gfbf-2023b.eb
@@ -0,0 +1,28 @@
+# IT4Innovations
+# LK 2024
+
+easyblock = 'EB_Boost'
+
+name = 'Boost.Python-NumPy'
+version = '1.83.0'
+
+homepage = 'https://boostorg.github.io/python'
+description = """Boost.Python is a C++ library which enables seamless interoperability between C++
+ and the Python programming language."""
+
+toolchain = {'name': 'gfbf', 'version': '2023b'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://boostorg.jfrog.io/artifactory/main/release/%(version)s/source/']
+sources = ['boost_1_83_0.tar.gz']
+checksums = ['c0685b68dd44cc46574cce86c4e17c0f611b15e195be9848dfd0769a0a207628']
+
+dependencies = [
+    ('Boost', '1.83.0'),
+    ('Python', '3.11.5'),
+    ('SciPy-bundle', '2023.11'),
+]
+
+only_python_bindings = True
+
+moduleclass = 'lib'
diff --git a/b/Boost/Boost-1.77.0-gompi-2021a.eb b/b/Boost/Boost-1.77.0-gompi-2021a.eb
index 45231603..b485f03f 100644
--- a/b/Boost/Boost-1.77.0-gompi-2021a.eb
+++ b/b/Boost/Boost-1.77.0-gompi-2021a.eb
@@ -11,6 +11,7 @@ toolchainopts = {'pic': True, 'usempi': True}
 
 source_urls = ['https://boostorg.jfrog.io/artifactory/main/release/%(version)s/source/']
 sources = ['%%(namelower)s_%s.tar.gz' % '_'.join(version.split('.'))]
+checksums = ['5347464af5b14ac54bb945dc68f1dd7c56f0dad7262816b956138fc53bcc0131']
 
 dependencies = [
     ('bzip2', '1.0.8', '', True),
diff --git a/c/CMake/CMake-3.16.2.eb b/c/CMake/CMake-3.16.2.eb
index 50733918..a89e92a5 100644
--- a/c/CMake/CMake-3.16.2.eb
+++ b/c/CMake/CMake-3.16.2.eb
@@ -13,6 +13,7 @@ toolchain = SYSTEM
 
 source_urls = ['http://www.cmake.org/files/v%(version_major_minor)s']
 sources = [SOURCELOWER_TAR_GZ]
+checksums = ['8c09786ec60ca2be354c29829072c38113de9184f29928eb9da8446a5f2ce6a9']
 
 configopts = '-- -DCMAKE_USE_OPENSSL=1'
 
diff --git a/e/ELPA/ELPA-2019.11.001-intel-2021a.eb b/e/ELPA/ELPA-2019.11.001-intel-2021a.eb
new file mode 100644
index 00000000..d3d7af6b
--- /dev/null
+++ b/e/ELPA/ELPA-2019.11.001-intel-2021a.eb
@@ -0,0 +1,29 @@
+#IT4Innovations
+#LK 2024
+
+name = 'ELPA'
+version = '2019.11.001'
+
+homepage = 'https://elpa.mpcdf.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications ."""
+
+toolchain = {'name': 'intel', 'version': '2021a'}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+source_urls = ['https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['10374a8f042e23c7e1094230f7e2993b6f3580908a213dbdf089792d05aff357']
+
+builddependencies = [
+    ('Autotools', '20210128'),
+    # remove_xcompiler script requires 'python' command,
+    # manual_cpp script requires 'python' command and is not compatible yet with Python 3
+#    ('Python', '2.7.18'),
+]
+
+# When building in parallel, the file test_setup_mpi.mod is sometimes
+# used before it is built, leading to an error.  This must be a bug in
+# the makefile affecting parallel builds.
+maxparallel = 1
+
+moduleclass = 'math'
diff --git a/e/ELPA/ELPA-2023.11.001-intel-2023b.eb b/e/ELPA/ELPA-2023.11.001-intel-2023b.eb
index 9f876959..73c6736f 100644
--- a/e/ELPA/ELPA-2023.11.001-intel-2023b.eb
+++ b/e/ELPA/ELPA-2023.11.001-intel-2023b.eb
@@ -1,5 +1,10 @@
-# IT4Innovations
-# LK 2024
+##
+# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild
+#
+# Authors::   Inge Gutheil <i.gutheil@fz-juelich.de>, Alan O'Cais <a.ocais@fz-juelich.de>
+# License::   MIT/GPL
+#
+##
 
 name = 'ELPA'
 version = '2023.11.001'
@@ -8,7 +13,12 @@ homepage = 'https://elpa.mpcdf.mpg.de/'
 description = """Eigenvalue SoLvers for Petaflop-Applications."""
 
 toolchain = {'name': 'intel', 'version': '2023b'}
-toolchainopts = {'openmp': True, 'usempi': True}
+import os
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   toolchainopts = {'usempi': True, 'openmp': True,  'optarch': 'march=core-avx2'}
+else:
+   toolchainopts = {'usempi': True, 'openmp': True}
+
 
 source_urls = ['https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_%(version)s/']
 sources = ['elpa-new_release_%(version)s.tar.gz']
@@ -35,13 +45,16 @@ builddependencies = [
 preconfigopts = './autogen.sh && '
 preconfigopts += 'export LDFLAGS="-lm $LDFLAGS" && '
 preconfigopts += 'autoreconf && '
-preconfigopts = "export FC='mpiifort' && "
-preconfigopts += "export CC='mpicc' && "
-preconfigopts += 'export FCFLAGS="-O3 -xAVX2" && '
-preconfigopts += 'export CFLAGS="-O3 -march=native -mavx2 -mfma -funsafe-loop-optimizations -funsafe-math-optimizations -ftree-vect-loop-version -ftree-vectorize" && '
-preconfigopts += 'export SCALAPACK_LDFLAG=S"-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread " && '
-preconfigopts += 'export SCALAPACK_FCFLAGS="-I$MKL_HOME/include/intel64/lp64" && '
+# If the build is running in a batch job, make sure Intel libmpi does
+# not try to use Slurm to run the MPI_THREAD test code that ELPA's
+# configure is running without "mpirun".
+preconfigopts += 'unset SLURM_JOBID && unset SLURM_NODELIST && unset I_MPI_PMI_LIBRARY && '
 
+configopts = '--without-threading-support-check-during-build '
+
+# When building in parallel, the file test_setup_mpi.mod is sometimes
+# used before it is built, leading to an error.  This must be a bug in
+# the makefile affecting parallel builds.
 maxparallel = 1
 
 moduleclass = 'math'
diff --git a/h/HDF5/HDF5-1.10.6-intel-2020a.eb b/h/HDF5/HDF5-1.10.6-intel-2020a.eb
index 08430bda..9e0a4df5 100644
--- a/h/HDF5/HDF5-1.10.6-intel-2020a.eb
+++ b/h/HDF5/HDF5-1.10.6-intel-2020a.eb
@@ -8,11 +8,12 @@ description = """HDF5 is a unique technology suite that makes possible the manag
  extremely large and local_complex data collections."""
 
 toolchain = {'name': 'intel', 'version': '2020a'}
-toolchainopts = {'pic': True, 'usempi': False}
+toolchainopts = {'pic': True, 'usempi': True}
 
 source_urls = [
     'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
 sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5f9a3ee85db4ea1d3b1fa9159352aebc2af72732fc2f58c96a3f0768dba0e9aa']
 
 dependencies = [
     ('zlib', '1.2.11'),
diff --git a/i/IOTK/IOTK-1.2.2-intel-2020a.eb b/i/IOTK/IOTK-1.2.2-intel-2020a.eb
index b4294d10..a8315f15 100644
--- a/i/IOTK/IOTK-1.2.2-intel-2020a.eb
+++ b/i/IOTK/IOTK-1.2.2-intel-2020a.eb
@@ -11,6 +11,10 @@ simplified access to tagged files formatted using some specific rule."""
 
 source_urls = ['https://github.com/yambo-code/yambo/files/962173']
 sources = ['iotk-y1.2.2.tar.gz']
+checksums = [
+   'c0a4eb19f3e885d83d7afa52eb90658fba7cb1cb6e66049866a98dcc980de543',
+   'e0536c490ce57e60ba6e10c54f1b9baf9c4d6cd6c18be8a4d2f7a4e685200df2'
+]
 
 toolchain = {'name': 'intel', 'version': '2020a'}
 
diff --git a/j/Java/Java-1.8.0_221.eb b/j/Java/Java-1.8.0_221.eb
index af940e5e..f5cd7d4d 100644
--- a/j/Java/Java-1.8.0_221.eb
+++ b/j/Java/Java-1.8.0_221.eb
@@ -1,3 +1,6 @@
+# IT4Innovations
+# LK 2024
+
 name = 'Java'
 version = "1.8.0_221"
 
@@ -12,5 +15,6 @@ toolchain = SYSTEM
 (local_vp, local_vs) = version.split('_')
 local_altver = '%su%s' % (local_vp.split('.')[1], local_vs)
 sources = ['jdk-%s-linux-x64.tar.gz' % local_altver]
+checksums = ['bac52b7f120a03c4c0815ca8fc77c02a8f3db2ded121ffad7449525f377e2479']
 
 moduleclass = 'lang'
diff --git a/n/NVHPC/NVHPC-21.9.eb b/n/NVHPC/NVHPC-21.9.eb
index 1913b031..86fe592a 100644
--- a/n/NVHPC/NVHPC-21.9.eb
+++ b/n/NVHPC/NVHPC-21.9.eb
@@ -14,6 +14,7 @@ accept_eula = True
 source_urls = ['https://developer.download.nvidia.com/hpc-sdk/%(version)s/']
 local_tarball_tmpl = 'nvhpc_2021_%%(version_major)s%%(version_minor)s_Linux_%s_cuda_multi.tar.gz'
 sources = [local_tarball_tmpl % '%(arch)s']
+checksums = ['7de6a6880fd7e59afe0dee51f1fae4d3bff1ca0fb8ee234b24e1f2fdff23ffc9']
 
 #local_gccver = '10.2.0'
 #dependencies = [
diff --git a/n/netCDF-Fortran/netCDF-Fortran-4.5.2-intel-2020a.eb b/n/netCDF-Fortran/netCDF-Fortran-4.5.2-intel-2020a.eb
index 10206398..1dd7b720 100644
--- a/n/netCDF-Fortran/netCDF-Fortran-4.5.2-intel-2020a.eb
+++ b/n/netCDF-Fortran/netCDF-Fortran-4.5.2-intel-2020a.eb
@@ -13,6 +13,7 @@ toolchainopts = {'pic': True, 'usempi': True}
 
 source_urls = ['https://github.com/Unidata/netcdf-fortran/archive/']
 sources = ['v%(version)s.tar.gz']
+checksums = ['0b05c629c70d6d224a3be28699c066bfdfeae477aea211fbf034d973a8309b49']
 
 builddependencies = [
     ('M4', '1.4.18'),
diff --git a/n/netCDF/netCDF-4.7.3-intel-2020a.eb b/n/netCDF/netCDF-4.7.3-intel-2020a.eb
index be550cc4..b3136279 100644
--- a/n/netCDF/netCDF-4.7.3-intel-2020a.eb
+++ b/n/netCDF/netCDF-4.7.3-intel-2020a.eb
@@ -15,6 +15,7 @@ sources = ['v%(version)s.tar.gz']
 source_urls = [
     'https://github.com/Unidata/netcdf-c/archive/'
 ]
+checksums = ['05d064a2d55147b83feff3747bea13deb77bef390cb562df4f9f9f1ce147840d']
 
 dependencies = [
     ('HDF5', '1.10.6', '', ('iimpi', '2020a')),
diff --git a/p/PETSc/PETSc-3.21.2-foss-2022b.eb b/p/PETSc/PETSc-3.21.2-foss-2022b.eb
new file mode 100644
index 00000000..cfd54fe1
--- /dev/null
+++ b/p/PETSc/PETSc-3.21.2-foss-2022b.eb
@@ -0,0 +1,42 @@
+# IT4Innovations
+# LK 2024
+
+name = 'PETSc'
+version = '3.21.2'
+
+homepage = 'https://www.mcs.anl.gov/petsc'
+description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
+ scalable (parallel) solution of scientific applications modeled by partial differential equations."""
+
+toolchain = {'name': 'foss', 'version': '2022b'}
+toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
+
+source_urls = ['https://gitlab.com/petsc/petsc/-/archive/v%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['11c69217df68a8b8a666b684560354449fa7e0b6ff8926288bd84722bffbe1ce']
+
+builddependencies = [('CMake', '3.24.3')]
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('SciPy-bundle', '2023.02'), #Karolina failed
+    ('Boost', '1.81.0'),
+    ('METIS', '5.1.0'),
+    ('SCOTCH', '7.0.3'),
+    ('MUMPS', '5.6.1', '-metis'),
+    ('SuiteSparse', '5.13.0', '-METIS-5.1.0'),
+    ('Hypre', '2.27.0'),
+    ('ParMETIS', '4.0.3'),
+    ('SuperLU_DIST', '8.1.2'),
+    ('mpi4py', '3.1.4'),
+]
+
+configopts = '--LIBS="$LIBS -lrt" --with-mpi4py=0 '
+
+shared_libs = 1
+
+# only required when building PETSc in a SLURM job environment
+# configopts += '--with-batch=1 --known-mpi-shared-libraries=1 --known-64-bit-blas-indices=0 '
+# prebuildopts = "srun ./conftest-arch-linux2-c-opt && ./reconfigure-arch-linux2-c-opt.py && "
+
+moduleclass = 'numlib'
diff --git a/p/petsc4py/petsc4py-3.21.2-foss-2022b.eb b/p/petsc4py/petsc4py-3.21.2-foss-2022b.eb
new file mode 100644
index 00000000..764eb690
--- /dev/null
+++ b/p/petsc4py/petsc4py-3.21.2-foss-2022b.eb
@@ -0,0 +1,30 @@
+# IT4Innovations
+# LK 2024
+
+easyblock = 'PythonPackage'
+
+name = 'petsc4py'
+version = '3.21.2'
+
+homepage = 'https://gitlab.com/petsc/petsc'
+description = """petsc4py are Python bindings for PETSc, the Portable, 
+Extensible Toolchain for Scientific Computation."""
+
+toolchain = {'name': 'foss', 'version': '2022b'}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['6ce1e1a45407da300c6869d0d9abe17b5b077424aa4895713642dda0bb19ab4e']
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('SciPy-bundle', '2023.02'),
+    ('PETSc', version),
+]
+
+download_dep_fail = True
+use_pip = True
+sanity_pip_check = True
+
+sanity_check_commands = ["python -c 'from petsc4py import PETSc'"]
+
+moduleclass = 'tools'
diff --git a/q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb b/q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb
index d52e24b9..5d710de3 100644
--- a/q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb
+++ b/q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb
@@ -16,6 +16,7 @@ toolchainopts = {'opt': True, 'pic': True, 'usempi': True}
 
 source_urls = ['https://github.com/QMCPACK/qmcpack/archive/']
 sources = ['v%(version)s.tar.gz']
+checksums = ['08bf712423c5ff8d983ba13c1892e767515f0996e865dff38f66d151d3de9548']
 
 builddependencies = [('CMake', '3.20.1')]
 
diff --git a/q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2020a-MaX.eb b/q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2020a-MaX.eb
new file mode 100644
index 00000000..d7934c11
--- /dev/null
+++ b/q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2020a-MaX.eb
@@ -0,0 +1,57 @@
+# IT4Innovations
+# LK 2024
+
+name = 'QuantumESPRESSO'
+version = '6.7'
+versionsuffix = '-MaX'
+
+homepage = 'https://www.quantum-espresso.org'
+description = """Quantum ESPRESSO  is an integrated suite of computer codes
+for electronic-structure calculations and materials modeling at the nanoscale.
+It is based on density-functional theory, plane waves, and pseudopotentials
+(both norm-conserving and ultrasoft).
+"""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+
+import os
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   toolchainopts = {'usempi': True, 'openmp': True,  'optarch': 'march=core-avx2'}
+else:
+   toolchainopts = {'usempi': True, 'openmp': True}
+
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   prebuildopts = "echo %(builddir)s && while read i; do echo $i; sed 's|-xHost|-march=core-avx2|g' -i $i; done < <(grep xHost %(builddir)s -R | cut -d ':' -f 1 | sort -u) && "
+
+source_urls = [
+    'https://github.com/QEF/q-e/releases/download/qe-%(version)s.0/',
+    'https://github.com/dceresoli/qe-gipaw/archive/',
+    'https://github.com/wannier-developers/wannier90/archive/',
+    'https://gitlab.com/QEF/q-e/-/archive/qe-%(version)sMaX-Release/'
+]
+sources = [
+    'q-e-qe-%(version)sMaX-Release.tar.gz',
+    {'filename': 'qe-gipaw-%(version)s.tar.gz', 'download_filename': '%(version)sMaX.tar.gz'},
+    {'filename': 'wannier90-3.1.0.tar.gz', 'download_filename': 'v3.1.0.tar.gz'},
+]
+checksums = [
+    'fe0ce74ff736b10d2a20c9d59025c01f88f86b00d229c123b1791f1edd7b4315',  # qe-6.7-MaX
+    '95d2ed2f4d27f044dba171bdf8c1913a67ebc8846ed3463462828f2d414a2a61',  # qe-gipaw-%(version)s.tar.gz
+    '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254',  # wannier90-3.1.0.tar.gz
+]
+
+dependencies = [
+    ('HDF5', '1.10.6'),
+    ('ELPA', '2019.11.001'),
+    ('libxc', '5.1.5'),
+]
+
+# The third party packages should be installed separately and added as
+# dependencies.  The exception is w90, which is force built, and gipaw
+# which depends on qe source
+buildopts = 'all gwl xspectra couple epw gipaw w90'
+
+# parallel build tends to fail
+parallel = 1
+
+moduleclass = 'chem'
diff --git a/q/QuantumESPRESSO/QuantumESPRESSO-7.2-intel-2021a.eb b/q/QuantumESPRESSO/QuantumESPRESSO-7.2-intel-2021a.eb
new file mode 100644
index 00000000..9f56522d
--- /dev/null
+++ b/q/QuantumESPRESSO/QuantumESPRESSO-7.2-intel-2021a.eb
@@ -0,0 +1,56 @@
+# IT4Innovations
+# LK 2024
+
+name = 'QuantumESPRESSO'
+version = '7.2'
+
+homepage = 'https://www.quantum-espresso.org'
+description = """Quantum ESPRESSO  is an integrated suite of computer codes
+for electronic-structure calculations and materials modeling at the nanoscale.
+It is based on density-functional theory, plane waves, and pseudopotentials
+(both norm-conserving and ultrasoft).
+"""
+
+toolchain = {'name': 'intel', 'version': '2021a'}
+
+import os
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   toolchainopts = {'usempi': True, 'openmp': True,  'optarch': 'march=core-avx2'}
+else:
+   toolchainopts = {'usempi': True, 'openmp': True}
+
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   prebuildopts = "echo %(builddir)s && while read i; do echo $i; sed 's|-xHost|-march=core-avx2|g' -i $i; done < <(grep xHost %(builddir)s -R | cut -d ':' -f 1 | sort -u) && "
+
+source_urls = [
+    'https://github.com/QEF/q-e/releases/download/qe-%(version)s.0/',
+    'https://github.com/dceresoli/qe-gipaw/archive/',
+    'https://github.com/wannier-developers/wannier90/archive/',
+    'https://github.com/QEF/q-e/archive/refs/tags/'
+]
+sources = [
+    'qe-%(version)s.tar.gz',
+    {'filename': 'qe-gipaw-%(version)s.tar.gz', 'download_filename': '%(version)s.tar.gz'},
+    {'filename': 'wannier90-3.1.0.tar.gz', 'download_filename': 'v3.1.0.tar.gz'},
+]
+checksums = [
+    'b348a4a7348b66a73545d9ca317a2645755c98d343c1cfe8def475ad030808c0',  # qe-%(version)s.tar.gz
+    'c27e4277287b519de2c45189d5509a0962c8edf2d7e16994f671c2c9d4731e05',  # qe-gipaw-%(version)s.tar.gz
+    '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254',  # wannier90-3.1.0.tar.gz
+]
+
+dependencies = [
+    ('HDF5', '1.10.7'),
+    ('ELPA', '2021.05.001'),
+    ('libxc', '5.1.5'),
+]
+
+# The third party packages should be installed separately and added as
+# dependencies.  The exception is w90, which is force built, and gipaw
+# which depends on qe source
+buildopts = 'all gwl xspectra couple epw gipaw w90'
+
+# parallel build tends to fail
+parallel = 1
+
+moduleclass = 'chem'
diff --git a/q/QuantumESPRESSO/QuantumESPRESSO-7.3-intel-2021a.eb b/q/QuantumESPRESSO/QuantumESPRESSO-7.3-intel-2021a.eb
new file mode 100644
index 00000000..98ff748c
--- /dev/null
+++ b/q/QuantumESPRESSO/QuantumESPRESSO-7.3-intel-2021a.eb
@@ -0,0 +1,56 @@
+# IT4Innovations
+# LK 2024
+
+name = 'QuantumESPRESSO'
+version = '7.3'
+
+homepage = 'https://www.quantum-espresso.org'
+description = """Quantum ESPRESSO  is an integrated suite of computer codes
+for electronic-structure calculations and materials modeling at the nanoscale.
+It is based on density-functional theory, plane waves, and pseudopotentials
+(both norm-conserving and ultrasoft).
+"""
+
+toolchain = {'name': 'intel', 'version': '2021a'}
+
+import os
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   toolchainopts = {'usempi': True, 'openmp': True,  'optarch': 'march=core-avx2'}
+else:
+   toolchainopts = {'usempi': True, 'openmp': True}
+
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   prebuildopts = "echo %(builddir)s && while read i; do echo $i; sed 's|-xHost|-march=core-avx2|g' -i $i; done < <(grep xHost %(builddir)s -R | cut -d ':' -f 1 | sort -u) && "
+
+source_urls = [
+    'https://github.com/QEF/q-e/releases/download/qe-%(version)s.0/',
+    'https://github.com/dceresoli/qe-gipaw/archive/',
+    'https://github.com/wannier-developers/wannier90/archive/',
+    'https://github.com/QEF/q-e/archive/refs/tags/'
+]
+sources = [
+    'qe-%(version)s.tar.gz',
+    {'filename': 'qe-gipaw-%(version)s.tar.gz', 'download_filename': '%(version)s.tar.gz'},
+    {'filename': 'wannier90-3.1.0.tar.gz', 'download_filename': 'v3.1.0.tar.gz'},
+]
+checksums = [
+    'edc2a0f3315c69966df4f82ec86ab9f682187bc9430ef6d2bacad5f27f08972c',  # qe-%(version)s.tar.gz
+    'ef5bc80172a3f0b2631120a17fb7caeb95c6b9ac98dcbbcec0d98b7ca871e8ca',  # qe-gipaw-%(version)s.tar.gz
+    '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254',  # wannier90-3.1.0.tar.gz
+]
+
+dependencies = [
+    ('HDF5', '1.10.7'),
+    ('ELPA', '2021.05.001'),
+    ('libxc', '5.1.5'),
+]
+
+# The third party packages should be installed separately and added as
+# dependencies.  The exception is w90, which is force built, and gipaw
+# which depends on qe source
+buildopts = 'all gwl xspectra couple epw gipaw w90'
+
+# parallel build tends to fail
+parallel = 1
+
+moduleclass = 'chem'
diff --git a/q/QuantumESPRESSO/QuantumESPRESSO-7.3.1-intel-2023b-gpu.eb b/q/QuantumESPRESSO/QuantumESPRESSO-7.3.1-intel-2023b-gpu.eb
new file mode 100644
index 00000000..9e37c20c
--- /dev/null
+++ b/q/QuantumESPRESSO/QuantumESPRESSO-7.3.1-intel-2023b-gpu.eb
@@ -0,0 +1,61 @@
+# IT4Innovations
+# LK 2024
+
+name = 'QuantumESPRESSO'
+version = '7.2'
+versionsuffix = '-gpu'
+
+homepage = 'https://www.quantum-espresso.org'
+description = """Quantum ESPRESSO  is an integrated suite of computer codes
+for electronic-structure calculations and materials modeling at the nanoscale.
+It is based on density-functional theory, plane waves, and pseudopotentials
+(both norm-conserving and ultrasoft).
+"""
+
+toolchain = {'name': 'intel', 'version': '2023b'}
+
+import os
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   toolchainopts = {'usempi': True, 'openmp': True,  'optarch': 'march=core-avx2'}
+else:
+   toolchainopts = {'usempi': True, 'openmp': True}
+
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   prebuildopts = "echo %(builddir)s && while read i; do echo $i; sed 's|-xHost|-march=core-avx2|g' -i $i; done < <(grep xHost %(builddir)s -R | cut -d ':' -f 1 | sort -u) && "
+
+source_urls = [
+    'https://github.com/QEF/q-e/releases/download/qe-%(version)s.0/',
+    'https://github.com/dceresoli/qe-gipaw/archive/',
+    'https://github.com/wannier-developers/wannier90/archive/',
+    'https://github.com/QEF/q-e/archive/refs/tags/'
+]
+sources = [
+    'qe-%(version)s.tar.gz',
+    {'filename': 'qe-gipaw-%(version)s.tar.gz', 'download_filename': '%(version)s.tar.gz'},
+    {'filename': 'wannier90-3.1.0.tar.gz', 'download_filename': 'v3.1.0.tar.gz'},
+]
+checksums = [
+    'b348a4a7348b66a73545d9ca317a2645755c98d343c1cfe8def475ad030808c0',  # qe-%(version)s.tar.gz
+    'c27e4277287b519de2c45189d5509a0962c8edf2d7e16994f671c2c9d4731e05',  # qe-gipaw-%(version)s.tar.gz
+    '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254',  # wannier90-3.1.0.tar.gz
+]
+
+dependencies = [
+    ('HDF5', '1.14.3'),
+    ('ELPA', '2023.11.001'),
+    ('libxc', '6.2.2'),
+    ('CUDA', '12.4.0', '', True),
+]
+
+# config
+configopts = '–with-cuda'
+
+# The third party packages should be installed separately and added as
+# dependencies.  The exception is w90, which is force built, and gipaw
+# which depends on qe source
+buildopts = 'all gwl xspectra couple epw gipaw w90'
+
+# parallel build tends to fail
+parallel = 1
+
+moduleclass = 'chem'
diff --git a/s/SLEPc/SLEPc-3.21.1-foss-2022b.eb b/s/SLEPc/SLEPc-3.21.1-foss-2022b.eb
new file mode 100644
index 00000000..36a42d56
--- /dev/null
+++ b/s/SLEPc/SLEPc-3.21.1-foss-2022b.eb
@@ -0,0 +1,24 @@
+# IT4Innovations
+# LK 2024
+
+name = 'SLEPc'
+version = '3.21.1'
+
+homepage = 'https://slepc.upv.es'
+description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
+ of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for
+ either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
+ partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
+
+toolchain = {'name': 'foss', 'version': '2022b'}
+toolchainopts = {'usempi': True, 'openmp': True}
+
+source_urls = ['https://slepc.upv.es/download/distrib']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['beb33f0a15c3ce81744b15ad09ddf84dae70dbf3475c5ef032b8549ab87d6d8a']
+
+dependencies = [('PETSc', '3.21.2')]
+
+petsc_arch = 'installed-arch-linux2-c-opt'
+
+moduleclass = 'numlib'
diff --git a/s/slepc4py/slepc4py-3.21.1-foss-2022b.eb b/s/slepc4py/slepc4py-3.21.1-foss-2022b.eb
new file mode 100644
index 00000000..ec098538
--- /dev/null
+++ b/s/slepc4py/slepc4py-3.21.1-foss-2022b.eb
@@ -0,0 +1,29 @@
+# IT4Innovations
+# LK 2024
+
+easyblock = 'PythonPackage'
+
+name = 'slepc4py'
+version = '3.21.1'
+
+homepage = 'https://bitbucket.org/slepc/slepc4py'
+description = "Python bindings for SLEPc, the Scalable Library for Eigenvalue Problem Computations."
+
+toolchain = {'name': 'foss', 'version': '2022b'}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['bc8e0e270643eef9b63b249080b8fe4433be0b697d55032d9f768ef310bd7b07']
+
+dependencies = [
+    ('Python', '3.10.8'),
+    ('SLEPc', '3.21.1'),
+    ('petsc4py', '3.21.2'),
+]
+
+download_dep_fail = True
+use_pip = True
+sanity_pip_check = True
+
+sanity_check_commands = ["python -c 'from slepc4py import SLEPc'"]
+
+moduleclass = 'tools'
diff --git a/s/sqsgenerator/sqsgenerator-0.3-conda.eb b/s/sqsgenerator/sqsgenerator-0.3-conda.eb
new file mode 100644
index 00000000..2149fb1c
--- /dev/null
+++ b/s/sqsgenerator/sqsgenerator-0.3-conda.eb
@@ -0,0 +1,27 @@
+# IT4Innovations
+# LK 2024
+
+easyblock = "Conda"
+
+name = 'sqsgenerator'
+version = '0.3'
+versionsuffix = '-conda'
+
+homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
+description = """This software calculates phonon-phonon interaction related properties"""
+
+toolchain = SYSTEM
+
+dependencies = [
+    ('Anaconda3', '2023.07-2'),
+]
+
+requirements = "%(namelower)s numpy"
+channels = ['conda-forge']
+
+sanity_check_paths = {
+    'files': ['bin/sqsgen'],
+    'dirs': ['bin', 'lib']
+}
+
+moduleclass = 'phys'
diff --git a/s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb b/s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb
index f31063c0..c8729725 100644
--- a/s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb
+++ b/s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb
@@ -25,14 +25,19 @@ builddependencies = [
 dependencies = [
     ('Python', '3.11.5'),
     ('GMP', '6.3.0'),
-    ('Boost', '1.83.0'),
-    ('SciPy-bundle', '2023.11'),
-#    ('pymatgen', '2022.0.12'),
+    ('Boost.Python-NumPy', '1.83.0'),
 ]
 
 use_pip = True
+
+#SQS_Boost_INCLUDE_DIR="${CONDA_PREFIX}/include" \
+#SQS_Boost_LIBRARY_DIR_RELEASE="${CONDA_PREFIX}/lib" \
+#CMAKE_CXX_COMPILER="x86_64-conda-linux-gnu-g++" \
+#CMAKE_CXX_FLAGS="-DNDEBUG -O2 -mtune=native -march=native" \ # optional
+
 preinstallopts = 'pip install --prefix=%(installdir)s  --no-deps --no-build-isolation  -r docs/requirements.txt && '
-preinstallopts += 'SQS_BOOST_ROOT=$EBROOTBOOST '
+preinstallopts += 'SQS_BOOST_INCLUDE_DIR=$EBROOTBOOST/include '
+preinstallopts += 'SQS_Boost_LIBRARY_DIR_RELEASE=$EBROOTBOOST/lib '
 preinstallopts += 'SQS_USE_MPI=ON '
 
 sanity_check_paths = {
diff --git a/y/Yambo/Yambo-5.2.3-intel-2020a.eb b/y/Yambo/Yambo-5.2.3-intel-2020a.eb
new file mode 100644
index 00000000..9fcd2c88
--- /dev/null
+++ b/y/Yambo/Yambo-5.2.3-intel-2020a.eb
@@ -0,0 +1,61 @@
+# IT4Innovations
+# LK 2024 
+
+easyblock = 'MakeCp'
+
+name = 'Yambo'
+version = '5.2.3'
+
+homepage = 'http://www.yambo-code.org'
+description = """Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics.
+ Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: abinit, and PWscf."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+import os
+if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
+   toolchainopts = {'usempi': True, 'optarch': 'march=core-avx2'}
+else:
+   toolchainopts = {'usempi': True}
+
+source_urls = ['https://github.com/yambo-code/yambo/archive/refs/tags/']
+sources = ['%(version)s.tar.gz']
+checksums = [
+    'a6168d1fa820af857ac51217bd6ad26dda4cc89c07e035bd7dc230038ae1ab9c',  # 5.2.3
+]
+
+dependencies = [
+    ('netCDF-Fortran', '4.5.2'),
+    ('libxc', '5.1.5'),
+    ('IOTK', '1.2.2'),
+]
+
+#with_configure = True
+
+#configopts = 'CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" '
+#configopts += '--with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" '
+#configopts += '--with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" '
+#configopts += '--with-netcdf-libs="-lnetcdff -lnetcdf" '
+#configopts += '--with-hdf5-path=$EBROOTHDF5 '
+#configopts += '--with-libxc-path=$EBROOTLIBXC '
+#configopts += '--enable-iotk '
+#onfigopts += '--with-iotk-path=$EBROOTIOTK '
+#configopts += '--enable-dp --enable-memory-profile --disable-open-mp '
+
+prebuildopts = './configure --build=x86_64-pc-linux-gnu  --host=x86_64-pc-linux-gnu CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" --with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" --with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" --with-netcdf-libs="-lnetcdff -lnetcdf" --with-hdf5-path=$EBROOTHDF5 --with-libxc-path=$EBROOTLIBXC --enable-iotk --with-iotk-path=$EBROOTIOTK --enable-dp --enable-memory-profile --disable-open-mp && '
+
+buildopts = 'all'
+
+parallel = 1
+
+files_to_copy = [
+        (['bin/*'], 'bin'),
+        (['lib/*.a'], 'lib'),
+        (['include/*'], 'include'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/' + x for x in ['a2y', 'p2y', 'yambo', 'ypp']],
+    'dirs': []
+}
+
+moduleclass = 'phys'