diff --git a/c/CP2K/CP2K-5.1.eb b/c/CP2K/CP2K-5.1.0-GCC-6.3.0-2.27.eb
similarity index 84%
rename from c/CP2K/CP2K-5.1.eb
rename to c/CP2K/CP2K-5.1.0-GCC-6.3.0-2.27.eb
index cdbc4012..acf5d171 100644
--- a/c/CP2K/CP2K-5.1.eb
+++ b/c/CP2K/CP2K-5.1.0-GCC-6.3.0-2.27.eb
@@ -8,7 +8,7 @@
 # make -j 28 ARCH=local VERSION="popt"
 #
 name = 'CP2K'
-version = '5.1'
+version = '5.1.0'
 
 homepage = 'http://www.cp2k.org/'
 description = """CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular
@@ -16,9 +16,9 @@ description = """CP2K is a freely available (GPL) program, written in Fortran 95
  methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and
  classical pair and many-body potentials. """
 
-toolchain = SYSTEM
+toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
 
-source_urls = ['https://github.com/cp2k/cp2k/archive']
+source_urls = ['https://github.com/cp2k/cp2k/archive/']
 sources = ['v%(version)s.tar.gz']
 
 patches = [
@@ -28,12 +28,12 @@ patches = [
 modextrapaths = {'PATH': 'exe/local'}
 
 dependencies = [
-    ('MPICH', '3.2.1', '', ('GCC', '6.3.0-2.27')),
-    ('imkl', '2017.1.132', '', ('iimpi', '2017a')),
+    ('MPICH', '3.2.1'),
+    ('mkl', '2020.0.166', '', True),
 ]
 
 builddependencies = [
-    ('CMake', '3.9.1', '', True),
+    ('CMake', '3.16.2', '', True),
 ]
 
 moduleclass = 'chem'
diff --git a/c/CP2K/CP2K-7.1-intel-2017c.eb b/c/CP2K/CP2K-7.1-intel-2017c.eb
new file mode 100644
index 00000000..88586a85
--- /dev/null
+++ b/c/CP2K/CP2K-7.1-intel-2017c.eb
@@ -0,0 +1,43 @@
+# IT4Innovations 2020
+
+name = 'CP2K'
+version = '7.1'
+
+homepage = 'http://www.cp2k.org/'
+description = """CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular
+ simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different
+ methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and
+ classical pair and many-body potentials. """
+
+toolchain = {'name': 'intel', 'version': '2017c'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/cp2k/cp2k/releases/download/v%(version)s.0/']
+sources = [SOURCELOWER_TAR_BZ2]
+#patches = [
+#    'CP2K-2.4.0-fix_compile_date_lastsvn.patch',
+#]
+
+dependencies = [
+    ('Libint', '1.1.6'),
+#    ('libxc', '4.3.4'),
+    ('libxsmm', '1.8.3'),
+    ('FFTW', '3.3.8'),
+    ('PLUMED', '2.4.2'),
+]
+
+builddependencies = [
+    ('flex', '2.6.4', '', True),
+    ('Bison', '3.0.4', '', True),
+]
+
+# values to use here are +1 those used for building Libint
+# see https://github.com/cp2k/cp2k/blob/master/cp2k/tools/hfx_tools/libint_tools/README_LIBINT
+extradflags = "-D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5"
+
+# regression test reports failures
+ignore_regtest_fails = True
+
+parallel = 1
+
+moduleclass = 'chem'
diff --git a/c/CP2K/CP2K-7.1-intel-2020a.eb b/c/CP2K/CP2K-7.1-intel-2020a.eb
new file mode 100644
index 00000000..ebe13114
--- /dev/null
+++ b/c/CP2K/CP2K-7.1-intel-2020a.eb
@@ -0,0 +1,45 @@
+# IT4Innovations 2020
+
+name = 'CP2K'
+version = '7.1'
+
+homepage = 'http://www.cp2k.org/'
+description = """CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular
+ simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different
+ methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and
+ classical pair and many-body potentials. """
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/cp2k/cp2k/releases/download/v%(version)s.0/']
+sources = [SOURCELOWER_TAR_BZ2]
+patches = [
+    'CP2K-2.4.0-fix_compile_date_lastsvn.patch',
+]
+checksums = [
+    'af803558e0a6b9e9d9ce8a3ab955ba32bacd179922455424e061c82c9fefa34b',  # cp2k-6.1.tar.bz2
+    '02475cbe24c8d4ba27037c826adf8a534cad634c3c4e02c21d743f5284516bda',  # CP2K-2.4.0-fix_compile_date_lastsvn.patch
+]
+
+dependencies = [
+    ('Libint', '1.1.6'),
+    ('libxc', '4.3.4'),
+    ('libxsmm', '1.8.3'),
+    ('FFTW', '3.3.8'),
+    ('PLUMED', '2.4.0'),
+]
+
+builddependencies = [
+    ('flex', '2.6.4', '', True),
+    ('Bison', '3.0.5', '', True),
+]
+
+# values to use here are +1 those used for building Libint
+# see https://github.com/cp2k/cp2k/blob/master/cp2k/tools/hfx_tools/libint_tools/README_LIBINT
+extradflags = "-D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5"
+
+# regression test reports failures
+ignore_regtest_fails = True
+
+moduleclass = 'chem'
diff --git a/g/GSL/GSL-2.5-intel-2020a.eb b/g/GSL/GSL-2.5-intel-2020a.eb
new file mode 100644
index 00000000..b9bfd427
--- /dev/null
+++ b/g/GSL/GSL-2.5-intel-2020a.eb
@@ -0,0 +1,22 @@
+# IT4Innovations 2020
+
+easyblock = 'ConfigureMake'
+
+name = 'GSL'
+version = '2.5'
+
+homepage = 'http://www.gnu.org/software/gsl/'
+
+description = """
+ The GNU Scientific Library (GSL) is a numerical library for C and C++
+ programmers.  The library provides a wide range of mathematical routines
+ such as random number generators, special functions and least-squares fitting.
+"""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'unroll': True, 'pic': True}
+
+source_urls = [GNU_SOURCE]
+sources = [SOURCELOWER_TAR_GZ]
+
+moduleclass = 'numlib'
diff --git a/h/HTSlib/HTSlib-1.9-intel-2020a.eb b/h/HTSlib/HTSlib-1.9-intel-2020a.eb
new file mode 100644
index 00000000..c8cde508
--- /dev/null
+++ b/h/HTSlib/HTSlib-1.9-intel-2020a.eb
@@ -0,0 +1,28 @@
+# IT4Innovations 2020
+
+easyblock = 'ConfigureMake'
+
+name = 'HTSlib'
+version = '1.9'
+
+homepage = "http://www.htslib.org/"
+description = """ A C library for reading/writing high-throughput sequencing data.
+ This package includes the utilities bgzip and tabix """
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+
+source_urls = ['https://github.com/samtools/%(namelower)s/releases/download/%(version)s/']
+sources = [SOURCELOWER_TAR_BZ2]
+
+dependencies = [
+    ('zlib', '1.2.11', '', True),
+    ('bzip2', '1.0.6', '', True),
+    ('XZ', '5.2.4', '', True),
+]
+
+sanity_check_paths = {
+    'files': ["bin/bgzip", "bin/tabix", "lib/libhts.%s" % SHLIB_EXT],
+    'dirs': [],
+}
+
+moduleclass = 'bio'
diff --git a/l/Libint/Libint-1.1.6-intel-2020a.eb b/l/Libint/Libint-1.1.6-intel-2020a.eb
new file mode 100644
index 00000000..acb2c8b0
--- /dev/null
+++ b/l/Libint/Libint-1.1.6-intel-2020a.eb
@@ -0,0 +1,36 @@
+# IT4Innovations 2020
+
+name = 'Libint'
+version = '1.1.6'
+
+homepage = 'https://sourceforge.net/p/libint/'
+description = """Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body
+ matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'pic': True}
+
+sources = ['release-%s.tar.gz' % '-'.join(version.split('.'))]
+source_urls = ['https://github.com/evaleev/libint/archive/']
+
+builddependencies = [
+   ('Autotools', '20180311', '', True)
+]
+
+preconfigopts = "aclocal -I lib/autoconf && libtoolize && autoconf && "
+
+configopts = "--enable-deriv --enable-r12"
+
+sanity_check_paths = {
+    'files': [
+        'include/lib%(x)s/lib%(x)s.h' %
+        {
+            'x': x} for x in [
+                'deriv', 'int', 'r12']] + [
+                    'include/libint/hrr_header.h', 'include/libint/vrr_header.h'] + [
+                        'lib/lib%s.%s' %
+                        (x, y) for x in [
+                            'deriv', 'int', 'r12'] for y in [
+                                'a', SHLIB_EXT]], 'dirs': [], }
+
+moduleclass = 'chem'
diff --git a/l/libxsmm/libxsmm-1.8.3-intel-2020a.eb b/l/libxsmm/libxsmm-1.8.3-intel-2020a.eb
new file mode 100644
index 00000000..ac527934
--- /dev/null
+++ b/l/libxsmm/libxsmm-1.8.3-intel-2020a.eb
@@ -0,0 +1,32 @@
+# IT4Innovatios 2019
+
+easyblock = 'ConfigureMake'
+
+name = 'libxsmm'
+version = '1.8.3'
+
+homepage = 'https://github.com/hfp/libxsmm'
+description = """LIBXSMM is a library for small dense and small sparse matrix-matrix multiplications
+targeting Intel Architecture (x86)."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+
+sources = ['%(version)s.tar.gz']
+source_urls = ['https://github.com/hfp/libxsmm/archive/']
+
+# install both static and dynamic version
+installopts = ['PREFIX=%(installdir)s', 'PREFIX=%(installdir)s STATIC=0']
+
+skipsteps = ['configure']
+maxparallel = 1
+
+sanity_check_paths = {
+    'files': [
+        'bin/libxsmm_gemm_generator',
+        'include/libxsmm.h',
+        'lib/libxsmm.a',
+        'lib/libxsmm.%s' %
+        SHLIB_EXT],
+    'dirs': ['share']}
+
+moduleclass = 'math'
diff --git a/m/mpi4py/mpi4py-3.0.0-Py-2.7.eb b/m/mpi4py/mpi4py-3.0.0-Py-2.7.eb
index 8b9d83bc..e8c70759 100644
--- a/m/mpi4py/mpi4py-3.0.0-Py-2.7.eb
+++ b/m/mpi4py/mpi4py-3.0.0-Py-2.7.eb
@@ -1,4 +1,4 @@
-# IT4Innovations 2018
+# IT4Innovations 2020
 
 easyblock = 'PythonPackage'
 
@@ -15,7 +15,7 @@ source_urls = [PYPI_SOURCE]
 sources = [SOURCE_TAR_GZ]
 
 dependencies = [
-    ('OpenMPI', '2.0.2', '', ('GCC', '6.3.0-2.27')),
+    ('OpenMPI', '3.1.5', '', ('GCCcore', '8.3.0')),
 ]
 
 sanity_check_paths = {
diff --git a/p/PLUMED/PLUMED-2.4.2-intel-2020a.eb b/p/PLUMED/PLUMED-2.4.2-intel-2020a.eb
new file mode 100644
index 00000000..0b3e7ee1
--- /dev/null
+++ b/p/PLUMED/PLUMED-2.4.2-intel-2020a.eb
@@ -0,0 +1,46 @@
+# IT4Innovations 2020
+
+easyblock = 'ConfigureMake'
+
+name = 'PLUMED'
+version = '2.4.2'
+
+homepage = 'http://www.plumed-code.org'
+description = """PLUMED is an open source library for free energy calculations in molecular systems which
+ works together with some of the most popular molecular dynamics engines. Free energy calculations can be
+ performed as a function of many order parameters with a particular  focus on biological problems, using
+ state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD.
+ The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.
+"""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'usempi': 'True'}
+
+source_urls = ['https://github.com/plumed/plumed2/archive/']
+sources = ['v%(version)s.tar.gz']
+
+dependencies = [
+    ('zlib', '1.2.11', '', True),
+    ('GSL', '2.5'),
+    ('libmatheval', '1.1.11', '', True),
+]
+
+preconfigopts = 'env FC=$MPIF90 LIBS="$LIBLAPACK $LIBS" '
+configopts = ' --exec-prefix=%(installdir)s --enable-gsl'
+prebuildopts = 'source sourceme.sh && '
+
+sanity_check_paths = {
+    'files': [
+        'bin/plumed',
+        'lib/libplumedKernel.%s' %
+        SHLIB_EXT,
+        'lib/libplumed.%s' %
+        SHLIB_EXT],
+    'dirs': ['lib/plumed']}
+
+modextrapaths = {
+    'PLUMED_KERNEL': 'lib/libplumedKernel.%s' % SHLIB_EXT,
+    'PLUMED_ROOT': 'lib/plumed',
+}
+
+moduleclass = 'chem'
diff --git a/p/Platypus/Platypus-20170509-Py-2.7.eb b/p/Platypus/Platypus-20170509-Py-2.7.eb
index 6dbee447..5168b117 100644
--- a/p/Platypus/Platypus-20170509-Py-2.7.eb
+++ b/p/Platypus/Platypus-20170509-Py-2.7.eb
@@ -14,7 +14,7 @@ source_urls = ['https://github.com/andyrimmer/Platypus/archive']
 sources = ['master.tar.gz']
 
 dependencies = [
-    ('HTSlib', '1.8', '', ['intel', '2017a']),
+    ('HTSlib', '1.9', '', ['intel', '2020a']),
     ('Cython', '0.27.3'),
 ]