Merge branch 'it4i-barbora'

This commit is contained in:
Lukáš Krupčík 2019-12-04 09:09:56 +01:00
commit 40560cd888
20 changed files with 494 additions and 19 deletions

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# IT4Innovations 2019
name = 'icc'
version = '2018.5.274'
homepage = 'http://software.intel.com/en-us/intel-compilers/'
description = "Intel C and C++ compilers"
toolchain = SYSTEM
sources = ['parallel_studio_xe_%(version_major)s_update4_composer_edition_for_cpp.tgz']
checksums = ['bc5086f43d72f7e6a3d34a6602a81f8e']
local_gccver = '8.3.0'
local_binutilsver = '2.32'
versionsuffix = '-GCC-%s-%s' % (local_gccver, local_binutilsver)
dependencies = [
('GCCcore', local_gccver),
('binutils', local_binutilsver, '', ('GCCcore', local_gccver)),
]
# list of regex for components to install
# full list of components can be obtained from pset/mediaconfig.xml in unpacked sources
# cfr.
# https://software.intel.com/en-us/articles/intel-composer-xe-2015-silent-installation-guide
components = ['intel-comp', 'intel-ccomp', 'intel-icc', 'intel-openmp', 'intel-ipsc?_', 'intel-gdb(?!.*mic)']
dontcreateinstalldir = 'True'
license_file = '/apps/licenses/intel/license.lic'
modextravars = {
'CC': 'icc',
'CXX': 'icpc',
'OPTFLAGS': '-O3 -xHost -ip',
'DEBUGFLAGS': '-O0 -g'
}
moduleclass = 'compiler'

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# IT4Innovations 2019
name = 'icc'
version = '2019.5.281'
homepage = 'http://software.intel.com/en-us/intel-compilers/'
description = "Intel C and C++ compilers"
toolchain = SYSTEM
source_urls = ['http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/14865/']
sources = ['parallel_studio_xe_%(version_major)s_update%(version_minor)s_composer_edition_for_cpp.tgz']
local_gccver = '8.3.0'
local_binutilsver = '2.32'
versionsuffix = '-GCC-%s-%s' % (local_gccver, local_binutilsver)
dependencies = [
('GCCcore', local_gccver),
('binutils', local_binutilsver, '', ('GCCcore', local_gccver)),
]
# list of regex for components to install
# full list of components can be obtained from pset/mediaconfig.xml in unpacked sources
# cfr. https://software.intel.com/en-us/articles/intel-composer-xe-2015-silent-installation-guide
components = ['intel-comp', 'intel-ccomp', 'intel-icc', 'intel-openmp', 'intel-ipsc?_', 'intel-gdb(?!.*mic)']
dontcreateinstalldir = 'True'
license_file = '/apps/licenses/intel/license.lic'
modextravars = {
'CC': 'icc',
'CXX': 'icpc',
'OPTFLAGS': '-O3 -xHost -ip',
'DEBUGFLAGS': '-O0 -g'
}
moduleclass = 'compiler'

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# IT4Innovations 2019
easyblock = 'Toolchain'
name = 'iccifort'
version = '2018.5.274'
versionsuffix = '-GCC-8.3.0-2.32'
homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-local_compiler/'
description = "Intel C, C++ & Fortran compilers"
toolchain = SYSTEM
dependencies = [
('icc', version, versionsuffix),
('ifort', version, versionsuffix),
]
moduleclass = 'toolchain'

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@ -0,0 +1,29 @@
# IT4Innovations 2019
easyblock = 'Toolchain'
name = 'iccifort'
version = '2019.5.281'
versionsuffix = '-GCC-8.3.0-2.32'
homepage = 'http://software.intel.com/en-us/intel-cluster-toolkit-local_compiler/'
description = "Intel C, C++ & Fortran compilers"
toolchain = SYSTEM
dependencies = [
('icc', version, versionsuffix),
('ifort', version, versionsuffix),
]
modextravars = {
'CC': 'icc',
'CXX': 'icpc',
'F90': 'ifort',
'F77': 'ifort',
'FC': 'ifort',
'OPTFLAGS': '-O3 -xHost -ip',
'DEBUGFLAGS': '-O0 -g'
}
moduleclass = 'toolchain'

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# IT4Innovations 2019
name = 'ifort'
version = '2018.5.274'
homepage = 'http://software.intel.com/en-us/intel-compilers/'
description = "Intel Fortran local_compiler"
toolchain = SYSTEM
sources = ['parallel_studio_xe_%(version_major)s_update4_composer_edition_for_fortran.tgz']
local_gccver = '8.3.0'
local_binutilsver = '2.32'
versionsuffix = '-GCC-%s-%s' % (local_gccver, local_binutilsver)
dependencies = [
('GCCcore', local_gccver),
('binutils', local_binutilsver, '', ('GCCcore', local_gccver)),
]
# list of regex for components to install
# full list of components can be obtained from pset/mediaconfig.xml in unpacked sources
# cfr.
# https://software.intel.com/en-us/articles/intel-composer-xe-2015-silent-installation-guide
components = [
'intel-comp',
'intel-fcomp',
'intel-ifort',
'intel-openmp',
'intel-ipsf?_',
'intel-gdb(?!.*mic)']
dontcreateinstalldir = 'True'
license_file = '/apps/licenses/intel/license.lic'
modextravars = {
'F90': 'ifort',
'F77': 'ifort',
'FC': 'ifort',
'OPTFLAGS': '-O3 -xHost -ip',
'DEBUGFLAGS': '-O0 -g'
}
moduleclass = 'compiler'

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# IT4Innovations 2019
name = 'ifort'
version = '2019.5.281'
homepage = 'http://software.intel.com/en-us/intel-compilers/'
description = "Intel Fortran local_compiler"
toolchain = SYSTEM
source_urls = ['http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/14866/']
sources = ['parallel_studio_xe_%(version_major)s_update%(version_minor)s_composer_edition_for_fortran.tgz']
#patches = ['ifort-%(version)s_no_mpi_mic_dependency.patch']
local_gccver = '8.3.0'
local_binutilsver = '2.32'
versionsuffix = '-GCC-%s-%s' % (local_gccver, local_binutilsver)
dependencies = [
('GCCcore', local_gccver),
('binutils', local_binutilsver, '', ('GCCcore', local_gccver)),
]
# list of regex for components to install
# full list of components can be obtained from pset/mediaconfig.xml in unpacked sources
# cfr. https://software.intel.com/en-us/articles/intel-composer-xe-2015-silent-installation-guide
components = ['intel-comp', 'intel-fcomp', 'intel-ifort', 'intel-openmp', 'intel-ipsf?_', 'intel-gdb(?!.*mic)']
dontcreateinstalldir = 'True'
license_file = '/apps/licenses/intel/license.lic'
modextravars = {
'F90': 'ifort',
'F77': 'ifort',
'FC': 'ifort',
'OPTFLAGS': '-O3 -xHost -ip',
'DEBUGFLAGS': '-O0 -g'
}
moduleclass = 'compiler'

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@ -10,12 +10,12 @@ description = """Intel C/C++ and Fortran compilers, alongside Intel MPI."""
toolchain = SYSTEM
local_compver = '2018.4.243'
local_compver = '2018.5.274'
local_suff = '-GCC-8.3.0-2.32'
dependencies = [
('icc', local_compver, local_suff),
('ifort', local_compver, local_suff),
('impi', local_compver, '', ('iccifort', '%s%s' % (local_compver, local_suff))),
('impi', '2018.4.274', '', ('iccifort', '%s%s' % (local_compver, local_suff))),
]
moduleclass = 'toolchain'

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@ -10,12 +10,12 @@ description = """Intel C/C++ and Fortran compilers, alongside Intel MPI."""
toolchain = SYSTEM
local_compver = '2019.4.243'
local_compver = '2019.5.281'
local_suff = '-GCC-8.3.0-2.32'
dependencies = [
('icc', local_compver, local_suff),
('ifort', local_compver, local_suff),
('impi', local_compver, '', ('iccifort', '%s%s' % (local_compver, local_suff))),
('impi', '2019.6.288', '', ('iccifort', '%s%s' % (local_compver, local_suff))),
]
moduleclass = 'toolchain'

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# IT4Innovations 2019
name = 'imkl'
version = '2018.4.274'
homepage = 'http://software.intel.com/en-us/intel-mkl/'
description = """Intel Math Kernel Library is a library of highly optimized,
extensively threaded math routines for science, engineering, and financial
applications that require maximum performance. Core math functions include
BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math, and more."""
toolchain = {'name': 'iimpi', 'version': '2018a'}
sources = ['l_mkl_%(version)s.tgz']
dontcreateinstalldir = 'True'
license_file = '/apps/licenses/intel/license.lic'
interfaces = True
postinstallcmds = [
# extract the examples
'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
]
modextravars = {
'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
}
moduleclass = 'numlib'

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# IT4Innovations 2019
name = 'imkl'
version = '2019.5.281'
homepage = 'http://software.intel.com/en-us/intel-mkl/'
description = """Intel Math Kernel Library is a library of highly optimized,
extensively threaded math routines for science, engineering, and financial
applications that require maximum performance. Core math functions include
BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math, and more."""
toolchain = {'name': 'iimpi', 'version': '2019a'}
sources = ['l_mkl_%(version)s.tgz']
dontcreateinstalldir = 'True'
interfaces = True
postinstallcmds = [
# extract the examples
'tar xvzf %(installdir)s/mkl/examples/examples_cluster_c.tgz -C %(installdir)s/mkl/examples/',
'tar xvzf %(installdir)s/mkl/examples/examples_cluster_f.tgz -C %(installdir)s/mkl/examples/',
'tar xvzf %(installdir)s/mkl/examples/examples_core_c.tgz -C %(installdir)s/mkl/examples/',
'tar xvzf %(installdir)s/mkl/examples/examples_core_f.tgz -C %(installdir)s/mkl/examples/',
'tar xvzf %(installdir)s/mkl/examples/examples_f95.tgz -C %(installdir)s/mkl/examples/',
]
modextravars = {
'MKL_EXAMPLES': '%(installdir)s/mkl/examples/',
}
moduleclass = 'numlib'

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# IT4Innovations 2019
name = 'impi'
version = '2018.4.274'
homepage = 'http://software.intel.com/en-us/intel-mpi-library/'
description = "Intel MPI Library, local_compatible with MPICH ABI"
toolchain = {'name': 'iccifort', 'version': '2018.5.274-GCC-8.3.0-2.32'}
sources = ['l_mpi_%(version)s.tgz']
checksums = ['70dff1835e605e57c5aac8cab1542fac']
dontcreateinstalldir = 'True'
components = ['intel-mpi', 'intel-psxe', 'intel-imb']
# set up all the mpi commands to default to intel compilers
# set_mpi_wrappers_all = 'True'
postinstallcmds = [
'ln -s %(installdir)s/lib64/libmpi.so %(installdir)s/lib64/libmpich.so',
'ln -s %(installdir)s/lib64/libmpigc4.so %(installdir)s/lib64/libmpichcxx.so',
'ln -s %(installdir)s/lib64/libmpigf.so %(installdir)s/lib64/libfmpich.so',
'ln -s %(installdir)s/lib64/libmpigf.so %(installdir)s/lib64/libmpichf90.so',
'ln -s %(installdir)s/lib64/libmpi.so %(installdir)s/lib64/libmpl.so',
'ln -s %(installdir)s/lib64/libmpi.so %(installdir)s/lib64/libopa.so']
moduleclass = 'mpi'

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# IT4Innovations 2019
name = 'impi'
version = '2019.6.288'
homepage = 'http://software.intel.com/en-us/intel-mpi-library/'
description = "Intel MPI Library, local_compatible with MPICH ABI"
toolchain = {'name': 'iccifort', 'version': '2019.5.281-GCC-8.3.0-2.32'}
source_urls = ['http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/14879/']
sources = ['l_mpi_%(version)s.tgz']
dontcreateinstalldir = 'True'
components = ['intel-mpi', 'intel-psxe', 'intel-imb']
# set up all the mpi commands to default to intel compilers
# set_mpi_wrappers_all = 'True'
modextravars = {
'I_MPI_CC': 'icc',
'I_MPI_CXX': 'icpc',
'I_MPI_F77': 'ifort',
'I_MPI_F90': 'ifort',
'I_MPI_FC': 'ifort',
'I_MPI_EXTRA_FILESYSTEM': 'enable',
'I_MPI_EXTRA_FILESYSTEM_LIST': 'lustre',
}
moduleclass = 'mpi'

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@ -1,3 +1,5 @@
# IT4Innovations 2019
easyblock = 'Toolchain'
name = 'intel'
@ -8,17 +10,17 @@ description = "Compiler toolchain including Intel compilers, Intel MPI and Intel
toolchain = SYSTEM
local_compver = '2018.1.163'
local_gccver = '6.3.0'
local_binutilsver = '2.27'
local_compver = '2018.5.274'
local_gccver = '8.3.0'
local_binutilsver = '2.32'
local_gccsuff = '-GCC-%s-%s' % (local_gccver, local_binutilsver)
dependencies = [
('GCCcore', local_gccver),
('binutils', local_binutilsver, '-GCCcore-%s' % local_gccver),
('icc', local_compver, local_gccsuff),
('ifort', local_compver, local_gccsuff),
('impi', local_compver, '', ('iccifort', '%s%s' % (local_compver, local_gccsuff))),
('imkl', local_compver, '', ('iimpi', version)),
('impi', '2018.4.274', '', ('iccifort', '%s%s' % (local_compver, local_gccsuff))),
('imkl', '2018.4.274', '', ('iimpi', version)),
]
moduleclass = 'toolchain'

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@ -10,7 +10,7 @@ description = "Compiler toolchain including Intel compilers, Intel MPI and Intel
toolchain = SYSTEM
local_compver = '2019.4.243'
local_compver = '2019.5.281'
local_gccver = '8.3.0'
local_binutilsver = '2.32'
local_gccsuff = '-GCC-%s-%s' % (local_gccver, local_binutilsver)
@ -19,7 +19,7 @@ dependencies = [
('binutils', local_binutilsver, '-GCCcore-%s' % local_gccver),
('icc', local_compver, local_gccsuff),
('ifort', local_compver, local_gccsuff),
('impi', local_compver, '', ('iccifort', '%s%s' % (local_compver, local_gccsuff))),
('impi', '2019.6.288', '', ('iccifort', '%s%s' % (local_compver, local_gccsuff))),
('imkl', local_compver, '', ('iimpi', version)),
]

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@ -11,13 +11,9 @@ description = """Libxc is a library of exchange-correlation functionals for dens
toolchain = {'name': 'intel', 'version': '2017c'}
source_urls = ['http://www.tddft.org/programs/octopus/down.php?file=libxc/%(version)s/']
sources = [SOURCE_TAR_GZ]
source_urls = ['http://www.tddft.org/programs/libxc/down.php?file=4.3.4/']
sources = ['libxc-4.3.4.tar.gz']
patches = ['libxc-%(version)s_rename-F03.patch']
checksums = [
'a8ee37ddc5079339854bd313272856c9d41a27802472ee9ae44b58ee9a298337', # libxc-4.3.4.tar.gz
'e494be3ca2026998f2dd7c6b03a4e662f204fd3d963271e588f9f0d5739e76b5', # libxc-4.3.4_rename-F03.patch
]
builddependencies = [
('CMake', '3.16.0', '-rc3', True),

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@ -11,7 +11,8 @@ description = """Python 2.7 toolchain"""
toolchain = SYSTEM
dependencies = [
('Python', '2.7.17', '-base'),
('Python', '2.7.17', '-base', ('GCC', '8.3.0-2.32')),
('GCC', '8.3.0-2.32'),
]
moduleclass = 'toolchain'

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@ -11,7 +11,8 @@ description = """Python 3.6 toolchain"""
toolchain = SYSTEM
dependencies = [
('Python', '3.6.9', '-base'),
('Python', '3.6.9', '-base', ('GCC', '8.3.0-2.32')),
('GCC', '8.3.0-2.32'),
]
moduleclass = 'toolchain'

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@ -0,0 +1,43 @@
# IT4Innovations 2019
easyblock = "EB_Python"
name = 'Python'
version = '2.7.17'
versionsuffix = '-base'
homepage = 'http://python.org/'
description = "Python is a programming language that lets you work more quickly and integrate your systems more effectively."
toolchain = {'name': 'GCC', 'version': '8.3.0-2.32'}
toolchainopts = {'pic': True, 'opt': True, 'optarch': True}
source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/']
sources = [SOURCE_TGZ]
dependencies = [
('bzip2', '1.0.6', '', True),
('zlib', '1.2.11', '', True),
('libreadline', '7.0', '', True),
('ncurses', '6.1', '', True),
('SQLite', '3.17.0', '', True),
('Tk', '8.6.6', '', True),
]
osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
#buildopts = 'CPPFLAGS="-I/apps/all/bzip2/1.0.6/include -I/apps/all/zlib/1.2.8/include -I/apps/all/ncurses/5.9/include -I/apps/all/SQLite/3.8.8.1/include" LDFLAGS="-L/apps/all/bzip2/1.0.6/lib -L/apps/all/zlib/1.2.8/lib -L/apps/all/ncurses/5.9/lib -L/apps/all/SQLite/3.8.8.1/lib:$CPPFLAGS"'
exts_list = [
('setuptools', '41.6.0', {
'source_urls': ['https://pypi.python.org/packages/source/s/setuptools/'],
'source_tmpl': '%(name)s-%(version)s.zip',
}),
('pip', '19.3.1', {
'source_urls': ['http://pypi.python.org/packages/source/p/pip/'],
}),
('nose', '1.3.7', {
'source_urls': ['http://pypi.python.org/packages/source/n/nose/'],
}),
]
moduleclass = 'lang'

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@ -0,0 +1,49 @@
# IT4Innovations 2019
name = 'Python'
version = '3.6.9'
versionsuffix = '-base'
homepage = 'http://python.org/'
description = "Python is a programming language that lets you work more quickly and integrate your systems more effectively."
toolchain = {'name': 'GCC', 'version': '8.3.0-2.32'}
toolchainopts = {'pic': True, 'opt': True, 'optarch': True}
source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/']
sources = [SOURCE_TGZ]
prebuildopts = 'export CFLAGS="-I${EBROOTXZ}/include" && '
prebuildopts += 'export LDFLAGS="-L${EBROOTXZ}/lib" && '
configopts = "--enable-optimizations"
# python needs bzip2 to build the bz2 package
dependencies = [
('bzip2', '1.0.6', '', True),
('libreadline', '7.0', '', True),
('SQLite', '3.17.0', '', True),
('Tk', '8.6.6', '', True),
('GMP', '6.1.2', '', True),
('XZ', '5.2.3', '', True),
('zlib', '1.2.11', '', True),
('ncurses', '6.1', '', True),
# ('OpenSSL', '1.0.1q'), # 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
]
#osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
exts_list = [
('setuptools', '41.6.0', {
'source_tmpl': '%(name)s-%(version)s.zip',
'source_urls': ['https://pypi.python.org/packages/source/s/setuptools/'],
}),
('pip', '19.3.1', {
'source_urls': ['https://pypi.python.org/packages/source/p/pip/'],
}),
('nose', '1.3.7', {
'source_urls': ['https://pypi.python.org/packages/source/n/nose/'],
}),
]
moduleclass = 'lang'

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@ -0,0 +1,40 @@
# IT4Innovations 2019
name = 'VTune'
version = '2019_update8'
homepage = 'http://software.intel.com/en-us/intel-vtune-amplifier-xe'
description = "Intel VTune Amplifier XE 2016 is the premier performance profiler for C, C++, C#, Fortran, Assembly and Java."
toolchain = SYSTEM
sources = ['vtune_amplifier_%(version)s.tar.gz']
checksums = ['d15b84ea16f7529e8bd0508ab8e98eba']
dontcreateinstalldir = 'True'
# license file
license_file = '/apps/licenses/intel/license.lic'
#preinstallopts = 'sed "1,2d" silent.cfg -i && '
dependencies = [
('X11', '20190717'),
]
sanity_check_paths = {
'files': [],
'dirs': ['vtune_amplifier_2019.8.0.604197'],
}
# Do necessary post-install steps to build VTune kernel modules
postinstallcmds = [
'mkdir %(installdir)s/modules',
'cd %(installdir)s/vtune_amplifier/sepdk/src/ && '
'./build-driver --install-dir=%(installdir)s/modules --non-interactive',
'sed "s|DEFAULT_GROUP=vtune|DEFAULT_GROUP=wheel|" %(installdir)s/modules/pax/insmod-pax -i',
'sed "s|DEFAULT_GROUP=vtune|DEFAULT_GROUP=wheel|" %(installdir)s/modules/vtsspp/insmod-vtsspp -i',
'sed "s|DEFAULT_GROUP=vtune|DEFAULT_GROUP=wheel|" %(installdir)s/modules/insmod-sep -i',
]
moduleclass = 'tools'