new file: a/arpack-ng/arpack-ng-3.5.0-intel-2020a.eb

new file:   d/DFTB+/DFTB+-17.1_test_dptools.patch
	new file:   d/DFTB+/DFTB+-19.1-intel-2020a-Py-3.7.eb
	new file:   p/Py/Py-3.6.old.eb

a/arpack-ng/arpack-ng-3.5.0-intel-2020a.eb

@@ -0,0 +1,28 @@
+# IT4Innovations 2020a
+
+easyblock = 'ConfigureMake'
+
+name = 'arpack-ng'
+version = '3.5.0'
+
+homepage = 'http://forge.scilab.org/index.php/p/arpack-ng/'
+description = """ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = ['https://github.com/opencollab/arpack-ng/archive/']
+sources = ['%(version)s.tar.gz']
+checksums = ['50f7a3e3aec2e08e732a487919262238f8504c3ef927246ec3495617dde81239']
+
+builddependencies = [('Autotools', '20180311', '', True)]
+
+preconfigopts = "sh bootstrap && "
+configopts = '--enable-mpi --with-pic --with-blas="$LIBBLAS" --with-lapack="$LIBLAPACK"'
+
+sanity_check_paths = {
+    'files': ["lib/libarpack.a", "lib/libarpack.%s" % SHLIB_EXT, "lib/libparpack.a", "lib/libparpack.%s" % SHLIB_EXT],
+    'dirs': []
+}
+
+moduleclass = 'numlib'

d/DFTB+/DFTB+-17.1_test_dptools.patch

@@ -0,0 +1,14 @@
+* relax test for exact match, compare difference with predefined tolerance instead
+author: Miguel Dias Costa (National University of Singapore)
+--- test/tools/dptools/test_grids.py.orig	2017-10-27 14:16:30.679276000 +0800
++++ test/tools/dptools/test_grids.py	2017-10-27 14:17:28.896727649 +0800
+@@ -39,7 +39,8 @@
+         )
+         gridcoords = grid.cartesian_to_gridcoord([1.9, -0.5, 1.5])
+         true_gridcoords = np.array([-1, 2, 9])
+-        self.assertTrue(np.all(gridcoords == true_gridcoords))
++        diff = np.max(np.abs(gridcoords - true_gridcoords))
++        self.assertLess(diff, FLOAT_TOLERANCE)
+ 
+ 
+     def test_get_corners_gridcoord(self):

d/DFTB+/DFTB+-19.1-intel-2020a-Py-3.7.eb

@@ -0,0 +1,50 @@
+# IT4Innovations 2020
+
+easyblock = 'ConfigureMake'
+
+name = 'DFTB+'
+version = '19.1'
+versionsuffix = '-Py-3.7'
+
+homepage = 'https://www.dftb-plus.info'
+description = """DFTB+ is a fast and efficient versatile quantum mechanical simulation package.  It is based on the 
+ Density Functional Tight Binding (DFTB) method, containing almost all of the useful extensions which have been
+ developed for the DFTB framework so far.  Using DFTB+ you can carry out quantum mechanical simulations like with
+ ab-initio density functional theory based packages, but in an approximate way gaining typically around two order of
+ magnitude in speed."""
+
+toolchain = {'name': 'intel', 'version': '2020a'}
+# some tests, e.g. spinorbit, fail with more aggressive optimization
+toolchainopts = {'lowopt': True, 'optarch': False}
+
+source_urls = ['https://github.com/dftbplus/dftbplus/archive/']
+sources = ['%(version)s.tar.gz']
+#patches = ['DFTB+-%(version)s_test_dptools.patch']
+
+dependencies = [
+    ('Py', '3.7', '', True),
+    ('arpack-ng', '3.5.0'),
+]
+
+skipsteps = ['configure']
+
+prebuildopts = "./utils/get_opt_externals dftd3 && ./utils/get_opt_externals slakos && "
+prebuildopts += "cp sys/make.x86_64-linux-intel make.arch && "
+prebuildopts += 'sed -i "s|-O2|$OPTFLAGS|g" make.arch && '
+prebuildopts += "sed -i 's|$(ROOT)/_install|%(installdir)s|' make.config && "
+
+buildopts = "LNOPT='-static-intel'"
+
+runtest = 'test'
+
+modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
+
+sanity_check_paths = {
+    'files': ['bin/' + x for x in ['dftb+', 'dp_bands', 'dp_dos', 'gen2cif',
+                                   'gen2xyz', 'modes', 'waveplot', 'xyz2gen']],
+    'dirs': ['lib/python%(pyshortver)s/site-packages']
+}
+
+sanity_check_commands = [('python', '-c "import dptools"')]
+
+moduleclass = 'phys'

p/Py/Py-3.6.old.eb

@@ -0,0 +1,18 @@
+# IT4Innovations 2019
+
+easyblock = "Toolchain"
+
+name = 'Py'
+version = '3.6'
+
+homepage = 'https://www.python.org'
+description = """Python 3.6 toolchain"""
+
+toolchain = SYSTEM
+
+dependencies = [
+    ('Python', '3.6.8', '-base', ('GCC', '6.3.0-2.27')),
+    ('GCC', '6.3.0-2.27'),
+]
+
+moduleclass = 'toolchain'