diff --git a/c/CMake/CMake-3.10.0.eb b/c/CMake/CMake-3.10.0.eb new file mode 100644 index 00000000..19011b76 --- /dev/null +++ b/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' diff --git a/c/CP2K/CP2K-5.1-intel-2017a-test.eb b/c/CP2K/CP2K-5.1-intel-2017a-test.eb index 53f6f360..d6c3608e 100644 --- a/c/CP2K/CP2K-5.1-intel-2017a-test.eb +++ b/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' diff --git a/c/CP2K/CP2K-5.1-intel-2017a-test2.eb b/c/CP2K/CP2K-5.1-intel-2017a-test2.eb deleted file mode 100644 index 2977e7ae..00000000 --- a/c/CP2K/CP2K-5.1-intel-2017a-test2.eb +++ /dev/null @@ -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' diff --git a/c/CP2K/CP2K-5.1.eb b/c/CP2K/CP2K-5.1.eb new file mode 100644 index 00000000..c1edfd2e --- /dev/null +++ b/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' diff --git a/c/cURL/cURL-7.56.1.eb b/c/cURL/cURL-7.56.1.eb new file mode 100644 index 00000000..caf6a331 --- /dev/null +++ b/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' diff --git a/e/ELPA/ELPA-2017.05.002-foss-2017a.eb b/e/ELPA/ELPA-2017.05.002-foss-2017a.eb new file mode 100644 index 00000000..76dbb724 --- /dev/null +++ b/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="${FCFLAGS} -ffree-line-length-none" ' +#start_dir = '%(name)s_%(version)s' + +builddependencies = [ + ('Automake', '1.15', '', True), +] + +#parallel = 1 + +moduleclass = 'math' diff --git a/e/expat/expat-2.2.5.eb b/e/expat/expat-2.2.5.eb new file mode 100644 index 00000000..dd4786e5 --- /dev/null +++ b/e/expat/expat-2.2.5.eb @@ -0,0 +1,16 @@ +easyblock = 'ConfigureMake' + +name = 'expat' +version = '2.2.5' + +homepage = 'http://expat.sourceforge.net/' +description = """Expat is an XML parser library written in C. It is a stream-oriented parser in which an application + registers handlers for things the parser might find in the XML document (like start tags)""" + +toolchain = {'name': 'dummy', 'version': ''} +toolchainopts = {'pic': True} + +sources = [SOURCELOWER_TAR_BZ2] +source_urls = [SOURCEFORGE_SOURCE] + +moduleclass = 'tools' diff --git a/g/git/git-2.14.1-GCC-7.1.0-2.28.eb b/g/git/git-2.14.1-GCC-7.1.0-2.28.eb new file mode 100644 index 00000000..04ff3058 --- /dev/null +++ b/g/git/git-2.14.1-GCC-7.1.0-2.28.eb @@ -0,0 +1,37 @@ +easyblock = 'ConfigureMake' + +name = 'git' +version = "2.14.1" + +homepage = 'http://git-scm.com/' +description = """Git is a free and open source distributed version control system designed +to handle everything from small to very large projects with speed and efficiency.""" + +toolchain = {'name': 'GCC', 'version': '7.1.0-2.28'} + +source_urls = ['https://www.kernel.org/pub/software/scm/git/'] +sources = ['%(name)s-%(version)s.tar.gz'] + +builddependencies = [ + ('Autoconf', '2.69', '', True) +] + +dependencies = [ + ('cURL', '7.53.1', '', True), + ('expat', '2.2.0', '', True), + ('gettext','0.19.8.1', '', True), + ('Perl', '5.26.0', '-bare'), +] + +preconfigopts = 'make configure && ' + +# Work around git build system bug. If LIBS contains -lpthread, then configure +# will not append -lpthread to LDFLAGS, but Makefile ignores LIBS. +configopts = "--with-perl=${EBROOTPERL}/bin/perl --enable-pthreads='-lpthread'" + +sanity_check_paths = { + 'files': ['bin/git'], + 'dirs': [], +} + +moduleclass = 'tools' diff --git a/g/gzip/gzip-1.8.eb b/g/gzip/gzip-1.8.eb new file mode 100644 index 00000000..99efd68e --- /dev/null +++ b/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 +# 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' diff --git a/l/libxsmm/libxsmm-1.7.1-GCC-6.3.0-2.27.eb b/l/libxsmm/libxsmm-1.7.1-GCC-6.3.0-2.27.eb index bbd08964..1a3a96b5 100644 --- a/l/libxsmm/libxsmm-1.7.1-GCC-6.3.0-2.27.eb +++ b/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'] diff --git a/t/tmux/tmux-2.6.eb b/t/tmux/tmux-2.6.eb new file mode 100644 index 00000000..0d2755d9 --- /dev/null +++ b/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'