Commit 77339d5f authored by Lukáš Krupčík's avatar Lukáš Krupčík

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
parent dbbd9ea2
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'
......@@ -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'
# 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'
......@@ -9,8 +16,7 @@ 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'}
toolchainopts = {'pic': True}
toolchain = {'name': 'dummy', 'version': ''}
sources = [SOURCELOWER_TAR_BZ2]
source_urls = [SOURCEFORGE_SOURCE]
......@@ -19,26 +25,15 @@ patches = [
'CP2K-2.4.0-fix_compile_date_lastsvn.patch',
]
# everything have to be with same toolchain!
modextrapaths = {'PATH': 'exe/local'}
dependencies = [
('Libint', '1.1.6'),
('libxc', '4.0.2'), # keep version 2.2.2
('PLUMED', '2.3.0'),
('libxsmm', '1.6.4'),
('MPICH', '3.2', '-snapshot-20160419-2.25', ('GCC', '5.3.1')),
('imkl', '2017.1.132', '', ('iimpi', '2017a')),
]
builddependencies = [
('flex', '2.6.4', '', True),
('Bison', '3.0.4', '', True),
('CMake', '3.9.1', '', 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'
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'
# 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="${FCFLAGS} -ffree-line-length-none" '
#start_dir = '%(name)s_%(version)s'
builddependencies = [
('Automake', '1.15', '', True),
]
#parallel = 1
moduleclass = 'math'
easyblock = 'ConfigureMake'
name = 'expat'
version = '2.2.5'
homepage = 'http://expat.sourceforge.net/'
description = """Expat is an XML parser library written in C. It is a stream-oriented parser in which an application
registers handlers for things the parser might find in the XML document (like start tags)"""
toolchain = {'name': 'dummy', 'version': ''}
toolchainopts = {'pic': True}
sources = [SOURCELOWER_TAR_BZ2]
source_urls = [SOURCEFORGE_SOURCE]
moduleclass = 'tools'
easyblock = 'ConfigureMake'
name = 'git'
version = "2.14.1"
homepage = 'http://git-scm.com/'
description = """Git is a free and open source distributed version control system designed
to handle everything from small to very large projects with speed and efficiency."""
toolchain = {'name': 'GCC', 'version': '7.1.0-2.28'}
source_urls = ['https://www.kernel.org/pub/software/scm/git/']
sources = ['%(name)s-%(version)s.tar.gz']
builddependencies = [
('Autoconf', '2.69', '', True)
]
dependencies = [
('cURL', '7.53.1', '', True),
('expat', '2.2.0', '', True),
('gettext','0.19.8.1', '', True),
('Perl', '5.26.0', '-bare'),
]
preconfigopts = 'make configure && '
# Work around git build system bug. If LIBS contains -lpthread, then configure
# will not append -lpthread to LDFLAGS, but Makefile ignores LIBS.
configopts = "--with-perl=${EBROOTPERL}/bin/perl --enable-pthreads='-lpthread'"
sanity_check_paths = {
'files': ['bin/git'],
'dirs': [],
}
moduleclass = 'tools'
# 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'
......@@ -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']
......
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'
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