new file: c/CMake/CMake-3.10.0.eb

modified:   c/CP2K/CP2K-5.1-intel-2017a-test.eb
	new file:   c/CP2K/CP2K-5.1.eb
	new file:   c/cURL/cURL-7.56.1.eb
	new file:   e/ELPA/ELPA-2017.05.002-foss-2017a.eb
	new file:   e/expat/expat-2.2.5.eb
	new file:   g/git/git-2.14.1-GCC-7.1.0-2.28.eb
	new file:   g/gzip/gzip-1.8.eb
	modified:   l/libxsmm/libxsmm-1.7.1-GCC-6.3.0-2.27.eb
	new file:   t/tmux/tmux-2.6.eb
	deleted:    c/CP2K/CP2K-5.1-intel-2017a-test2.eb

c/CMake/CMake-3.10.0.eb

@@ -0,0 +1,31 @@
+easyblock = 'ConfigureMake'
+
+name = 'CMake'
+version = '3.10.0'
+
+homepage = 'http://www.cmake.org'
+description = """CMake, the cross-platform, open-source build system.
+ CMake is a family of tools designed to build, test and package software."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+source_urls = ['http://www.cmake.org/files/v%(version_major_minor)s']
+sources = [SOURCELOWER_TAR_GZ]
+
+configopts = '-- -DCMAKE_USE_OPENSSL=1'
+
+dependencies = [
+    ('ncurses', '6.0'),
+    # OS dependency should be preferred if the os version is more recent then this version,
+    # it's nice to have an up to date openssl for security reasons
+    #('OpenSSL', '1.0.2j'),
+]
+
+osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
+
+sanity_check_paths = {
+    'files': ["bin/%s" % x for x in ['cmake', 'cpack', 'ctest']],
+    'dirs': [],
+}
+
+moduleclass = 'devel'

c/CP2K/CP2K-5.1-intel-2017a-test.eb

@@ -10,7 +10,7 @@ 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 = {'name': 'intel', 'version': '2017a'}
+toolchain = {'name': 'foss', 'version': '2017a'}
 toolchainopts = {'pic': True}
 
 sources = [SOURCELOWER_TAR_BZ2]
@@ -24,9 +24,8 @@ patches = [
 dependencies = [
     ('Libint', '1.1.6', '', ('GCC', '6.3.0-2.27')),
     ('libxc', '3.0.0', '', ('GCC', '6.3.0-2.27')),
-    ('PLUMED', '2.3.0'),
     ('libxsmm', '1.7.1', '', ('GCC', '6.3.0-2.27')),
-    ('libsmm', '2015-11-10'),
+    ('libsmm', '2015-11-10', '', True),
 ]
 
 builddependencies = [
@@ -36,11 +35,11 @@ builddependencies = [
 
 # don't use parallel make, results in compilation failure
 # because Fortran module files aren't created before they are needed
-parallel = 1
+#parallel = 1
 
 # regression test reports failures
 ignore_regtest_fails = True
 
-plumed = True
+#plumed = True
 
 moduleclass = 'chem'

c/CP2K/CP2K-5.1-intel-2017a-test2.eb

@@ -1,44 +0,0 @@
-# IT4Innovations 2017
-
-name = 'CP2K'
-version = '5.1'
-
-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': '2017a'}
-toolchainopts = {'pic': True}
-
-sources = [SOURCELOWER_TAR_BZ2]
-source_urls = [SOURCEFORGE_SOURCE]
-
-patches = [
-    'CP2K-2.4.0-fix_compile_date_lastsvn.patch',
-]
-
-# everything have to be with same toolchain!
-dependencies = [
-    ('Libint', '1.1.6'),
-    ('libxc', '4.0.2'), # keep version 2.2.2
-    ('PLUMED', '2.3.0'),
-    ('libxsmm', '1.6.4'),
-]
-
-builddependencies = [
-    ('flex', '2.6.4', '', True),
-    ('Bison', '3.0.4', '', True),
-]
-
-# don't use parallel make, results in compilation failure
-# because Fortran module files aren't created before they are needed
-parallel = 1
-
-# regression test reports failures
-ignore_regtest_fails = True
-
-plumed = True
-
-moduleclass = 'chem'

c/CP2K/CP2K-5.1.eb

@@ -0,0 +1,39 @@
+# IT4Innovations 2017
+#
+# Manual installation! Only for generating modulfile. RT#11533
+#
+# easybuild@srv1:/apps/all/CP2K/5.1/tools/toolchain$ ./install_cp2k_toolchain.sh --install-all --mpi-mode=mpich --math-mode=mkl --enable-omp=no --with-binutils=system --with-mkl=system --with-gcc=system --with-mpich=system --with-binutils=system --with-make=system --with-cmake=system
+# cp /apps/all/CP2K/5.1/tools/toolchain/install/arch/*
+# source /apps/all/CP2K/5.1/tools/toolchain/install/setup
+# make -j 28 ARCH=local VERSION="popt"
+#
+name = 'CP2K'
+version = '5.1'
+
+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': 'dummy', 'version': ''}
+
+sources = [SOURCELOWER_TAR_BZ2]
+source_urls = [SOURCEFORGE_SOURCE]
+
+patches = [
+    'CP2K-2.4.0-fix_compile_date_lastsvn.patch',
+]
+
+modextrapaths = {'PATH': 'exe/local'}
+
+dependencies = [
+    ('MPICH', '3.2', '-snapshot-20160419-2.25', ('GCC', '5.3.1')),
+    ('imkl', '2017.1.132', '', ('iimpi', '2017a')),
+]
+
+builddependencies = [
+    ('CMake', '3.9.1', '', True),
+]
+
+moduleclass = 'chem'

c/cURL/cURL-7.56.1.eb

@@ -0,0 +1,21 @@
+easyblock = 'ConfigureMake'
+
+name = 'cURL'
+version = '7.56.1'
+
+homepage = 'http://curl.haxx.se'
+description = 'libcurl is a free and easy-to-use client-side URL transfer library'
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = ['http://curl.haxx.se/download/']
+
+osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
+
+sanity_check_paths = {
+    'files': ['bin/curl', 'lib/libcurl.a', 'lib/libcurl.%s' % SHLIB_EXT],
+    'dirs': ['lib/pkgconfig'],
+}
+
+moduleclass = 'tools'

e/ELPA/ELPA-2017.05.002-foss-2017a.eb

@@ -0,0 +1,28 @@
+# IT4Innovations 2017
+
+easyblock = 'ConfigureMake'
+
+name = 'ELPA'
+version = '2017.05.002'
+
+homepage = 'http://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications ."""
+
+toolchain = {'name': 'foss', 'version': '2017a'}
+toolchainopts = {'optarch': True, 'usempi': True}
+
+source_urls = ['https://www.cp2k.org/static/downloads']
+sources = [SOURCELOWER_TAR_GZ]
+
+#patches = ['ELPA_fix-tests.patch']
+
+configopts = '--enable-openmp=no --enable-shared=yes --enable-static=yes --disable-option-checking --enable-avx2=yes --enable-avx512=no FCFLAGS="${FCFLAGS} -ffree-line-length-none" '
+#start_dir = '%(name)s_%(version)s'
+
+builddependencies = [
+    ('Automake', '1.15', '', True),
+]
+
+#parallel = 1
+
+moduleclass = 'math'

e/expat/expat-2.2.5.eb

@@ -0,0 +1,16 @@
+easyblock = 'ConfigureMake'
+
+name = 'expat'
+version = '2.2.5'
+
+homepage = 'http://expat.sourceforge.net/'
+description = """Expat is an XML parser library written in C. It is a stream-oriented parser in which an application
+ registers handlers for things the parser might find in the XML document (like start tags)"""
+
+toolchain = {'name': 'dummy', 'version': ''}
+toolchainopts = {'pic': True}
+
+sources = [SOURCELOWER_TAR_BZ2]
+source_urls = [SOURCEFORGE_SOURCE]
+
+moduleclass = 'tools'

g/git/git-2.14.1-GCC-7.1.0-2.28.eb

@@ -0,0 +1,37 @@
+easyblock = 'ConfigureMake'
+
+name = 'git'
+version = "2.14.1"
+
+homepage = 'http://git-scm.com/'
+description = """Git is a free and open source distributed version control system designed
+to handle everything from small to very large projects with speed and efficiency."""
+
+toolchain = {'name': 'GCC', 'version': '7.1.0-2.28'}
+
+source_urls = ['https://www.kernel.org/pub/software/scm/git/']
+sources = ['%(name)s-%(version)s.tar.gz']
+
+builddependencies = [
+    ('Autoconf', '2.69', '', True)
+]
+
+dependencies = [
+    ('cURL', '7.53.1', '', True),
+    ('expat', '2.2.0', '', True),
+    ('gettext','0.19.8.1', '', True),
+    ('Perl', '5.26.0', '-bare'),
+]
+
+preconfigopts = 'make configure && '
+
+# Work around git build system bug.  If LIBS contains -lpthread, then configure
+# will not append -lpthread to LDFLAGS, but Makefile ignores LIBS.
+configopts = "--with-perl=${EBROOTPERL}/bin/perl --enable-pthreads='-lpthread'"
+
+sanity_check_paths = {
+    'files': ['bin/git'],
+    'dirs': [],
+}
+
+moduleclass = 'tools'

g/gzip/gzip-1.8.eb

@@ -0,0 +1,35 @@
+# This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild
+#
+# Copyright:: Copyright (c) 2012-2013 Cyprus Institute / CaSToRC
+# Authors::   Thekla Loizou <t.loizou@cyi.ac.cy>
+# License::   MIT/GPL
+# $Id$
+#
+# This work implements a part of the HPCBIOS project and is a component of the policy:
+# http://hpcbios.readthedocs.org/en/latest/HPCBIOS_06-19.html
+##
+
+easyblock = 'ConfigureMake'
+
+name = 'gzip'
+version = '1.8'
+
+homepage = 'http://www.gnu.org/software/gzip/'
+description = "gzip (GNU zip) is a popular data compression program as a replacement for compress"
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+# eg. http://ftp.gnu.org/gnu/gzip/gzip-1.6.tar.gz
+source_urls = ['http://ftpmirror.gnu.org/gzip']
+sources = [SOURCE_TAR_GZ]
+
+# make sure the gzip, gunzip and compress binaries are available after installation
+sanity_check_paths = {
+    'files': ["bin/gunzip", "bin/gzip", "bin/uncompress"],
+    'dirs': [],
+}
+
+# run 'gzip -h' and 'gzip --version' after installation
+sanity_check_commands = [True, ('gzip', '--version')]
+
+moduleclass = 'tools'

l/libxsmm/libxsmm-1.7.1-GCC-6.3.0-2.27.eb

@@ -9,7 +9,7 @@ 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': 'dummy', 'version': ''}
+toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
 
 sources = [SOURCE_TAR_GZ]
 source_urls = ['https://www.cp2k.org/static/downloads']

t/tmux/tmux-2.6.eb

@@ -0,0 +1,26 @@
+easyblock = 'ConfigureMake'
+
+name = 'tmux'
+version = '2.6'
+
+homepage = 'http://tmux.sourceforge.net/'
+description = """tmux is a terminal multiplexer. It lets you switch easily
+between several programs in one terminal, detach them (they keep running in the background) and reattach them to a different terminal."""
+
+toolchain = {'name': 'dummy', 'version': 'dummy'}
+toolchainopts = {'optarch': True}
+
+sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/tmux/tmux/releases/download/%(version)s/']
+
+dependencies = [
+    ('ncurses', '6.0'),
+    ('libevent', '2.1.8'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/tmux'],
+    'dirs': []
+}
+
+moduleclass = 'tools'