Commit 2ff45ecc authored by Lukáš Krupčík's avatar Lukáš Krupčík

new file: e/Embree/Embree-intel-2017a.eb

	modified:   o/OSPRay/OSPRay-1.3.0.eb
	modified:   s/Sen2Cor/Sen2Cor-2.3.1-Python-2.7.13.eb
	new file:   t/tbb/tbb-2017.6.196.eb
	new file:   v/VASP/VASP-5.4.4-intel-2017a-mkl=cluster.eb
	new file:   v/VASP/VASP-5.4.4-intel-2017a-mkl=paralel.eb
	new file:   v/VASP/VASP-5.4.4-intel-2017a-mkl=sequential.eb
	deleted:    e/Embree/Embree-2.16.2.eb
	deleted:    g/GDAL/GDAL-2.1.3-Python-2.7.13-without-intel.eb
parent 7a084e78
easyblock = 'CMakeMake'
name = 'OSPRay'
version = '1.3.0'
homepage = 'http://www.ospray.org'
description = """
A Ray Tracing Based Rendering Engine for High-Fidelity Visualization"""
toolchain = {'name': 'intel', 'version': '2017a'}
source_urls = ['https://github.com/ospray/OSPRay/archive/']
sources = ['v%(version)s.tar.gz']
builddependencies = [
('CMake', '3.8.1', '', True),
]
dependencies = [
('tbb', '2017.6.196', '', True),
('Embree', '2.16.2'),
]
separate_build_dir = True
#skipsteps= ['configure', 'build']
sanity_check_paths = {
'files': ['lib64/libospray.so'],
'dirs': ['bin', 'lib64'],
}
# add the top dir to PATH
modextrapaths = {
'PATH': ''
}
moduleclass = 'vis'
......@@ -7,7 +7,7 @@ homepage = 'https://embree.github.io/index.html'
description = """
Embree is a collection of high-performance ray tracing kernels, developed at Intel."""
toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
toolchain = {'name': 'intel', 'version': '2017a'}
source_urls = ['https://github.com/embree/embree/archive']
sources = ['v%(version)s.tar.gz']
......@@ -17,15 +17,22 @@ builddependencies = [
]
dependencies = [
('tbb', '4.4.2.152', '', True),
('tbb', '2017.6.196', '', True),
('ispc', '1.9.1', '', True),
('freeglut', '3.0.0'),
]
configopts = '-DTBB_INCLUDE_DIR=$TBBROOT/include -DTBB_LIBRARY=$TBBROOT/lib/libtbb.so -DTBB_LIBRARY_MALLOC=$TBBROOT/lib/libtbbmalloc.so'
separate_build_dir = True
modextrapaths = {
'PATH': ['bin/embree2'],
}
sanity_check_paths = {
'files': ['lib/libospray.so'],
'dirs': ['bin', 'lib'],
'files': ['lib64/libembree.so'],
'dirs': ['bin', 'lib64'],
}
moduleclass = 'lib'
easyblock = 'ConfigureMake'
name = 'GDAL'
version = '2.1.3'
versionsuffix = '-Python-%(pyver)s-without-intel'
homepage = 'http://www.gdal.org/'
description = """GDAL is a translator library for raster geospatial data formats that is released under an X/MIT style
Open Source license by the Open Source Geospatial Foundation. As a library, it presents a single abstract data model
to the calling application for all supported formats. It also comes with a variety of useful commandline utilities for
data translation and processing."""
toolchain = {'name': 'dummy', 'version': ''}
source_urls = ['http://download.osgeo.org/gdal/%(version)s/']
sources = [SOURCELOWER_TAR_XZ]
patches = ['GDAL-%(version)s_fix-uchar-definition.patch']
dependencies = [
('Python', '2.7.13'),
# ('netCDF', '4.4.1.1', '', ('intel', '2017a')),
('expat', '2.2.0'),
('GEOS', '3.6.1', '-Python-%(pyver)s'),
('SQLite', '3.17.0'),
('libxml2', '2.9.4'),
('libpng', '1.6.29'),
('libjpeg-turbo', '1.5.1'),
# ('JasPer', '2.0.12', '', ('intel', '2017a')),
('LibTIFF', '4.0.7'),
('zlib', '1.2.11'),
# ('cURL', '7.53.1'),
('PCRE', '8.40'),
]
configopts = '--with-expat=$EBROOTEXPAT --with-libz=$EBROOTLIBZ --with-netcdf=$EBROOTNETCDF'
configopts += ' --with-xml2=$EBROOTLIBXML2 --with-geos=$EBROOTGEOS/bin/geos-config --with-jpeg=$EBROOTLIBJPEGMINTURBO'
configopts += ' --with-png=$EBROOTLIBPNG --with-sqlite3=$EBROOTSQLITE --with-jasper=$EBROOTJASPER'
configopts += ' --with-libtiff=$EBROOTLIBTIFF --with-pcre=$EBROOTPCRE --with-python=$EBROOTPYTHON/bin/python'
modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
sanity_check_paths = {
'files': ['lib/libgdal.a', 'lib/libgdal.%s' % SHLIB_EXT],
'dirs': ['bin', 'include', 'lib/python%(pyshortver)s/site-packages']
}
moduleclass = 'data'
......@@ -6,25 +6,27 @@ version = '1.3.0'
homepage = 'http://www.ospray.org'
description = """
A Ray Tracing Based Rendering Engine for High-Fidelity Visualization"""
toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
toolchain = {'name': 'intel', 'version': '2017a'}
source_urls = ['https://github.com/ospray/OSPRay/archive/']
sources = ['v%(version)s.tar.gz']
builddependencies = [
('CMake', '3.8.1', '', True),
('tbb', '4.4.2.152', '', True)
]
dependencies = []
dependencies = [
('tbb', '2017.6.196', '', True),
('Embree', '2.16.2'),
]
separate_build_dir = True
#skipsteps= ['configure', 'build']
sanity_check_paths = {
'files': ['lib/libospray.so'],
'dirs': ['bin', 'lib'],
'files': ['lib64/libospray.so'],
'dirs': ['bin', 'lib64'],
}
# add the top dir to PATH
......
# L2A_AtmCorr.so dela problemy, chce to jeste vyladit
easyblock = "PythonPackage"
name = 'Sen2Cor'
......@@ -28,7 +30,7 @@ dependencies = [
]
sanity_check_paths = {
'files': ['bin/L2A_Process', 'bin/L2A_Process-02.03.01', 'bin/L2A_Process-2.3.1'],
'files': ['bin/L2A_Process', 'bin/L2A_Process-02.03.01', 'bin/L2A_Process-2.3.1', 'lib/python2.7/site-packages/sen2cor-2.3.1-py2.7.egg/sen2cor/L2A_AtmCorr.so'],
'dirs': ['lib']
}
......
name = 'tbb'
version = '2017.6.196'
homepage = 'http://software.intel.com/en-us/articles/intel-tbb/'
description = """Intel Threading Building Blocks 4.0 (Intel TBB)
is a widely used, award-winning C++ template library for creating reliable,
portable, and scalable parallel applications.
Use Intel TBB for a simple and rapid way of developing robust task-based
parallel applications that scale to available processor cores, are compatible
with multiple environments, and are easier to maintain.
Intel TBB is the most proficient way to implement future-proof parallel applications
that tap into the power and performance of multicore and manycore hardware platforms."""
toolchain = {'name': 'dummy', 'version': ''}
sources = ['l_%(name)s_%(version)s.tgz']
requires_runtime_license = False
dontcreateinstalldir = 'True'
moduleclass = 'lib'
easyblock = 'MakeCp'
name = 'VASP'
version = '5.4.4'
versionsuffix = '-mkl=cluster'
homepage = 'http://www.vasp.at'
description = """The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale
materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics,
from first principles."""
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'pic': True, 'usempi': True}
# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on how to get access to the code
sources = ['%(namelower)s.%(version)s.tar.gz']
checksums = ['8ac646b108f974371eef398973373bf6']
dependencies = [
('zlib', '1.2.11', '', True),
]
prebuildopts = 'cp arch/makefile.include.linux_intel ./makefile.include && '
# path to libfftw3xf_intel.a is hardcoded in makefile.include
prebuildopts += 'sed -i "s|\$(MKLROOT)/interfaces/fftw3xf|\$(FFTW_LIB_DIR)|" makefile.include && '
# remove mkl flag to prevent mixing dynamic libs with the static libs in LIBBLACS/SCALAPACK
prebuildopts += 'sed -i "s|-mkl=sequential|-mkl=cluster|" makefile.include && '
# OFLAG = -O2 -xAVX
prebuildopts += 'sed -i "s|OFLAG = -O2|OFLAG = -O3 -xAVX|" makefile.include && '
# objects add MKLROOT
prebuildopts += 'sed -i "s|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o \$\(MKLROOT\)/lib/intel64_lin/libfftw3xf_intel.a|" makefile.include && '
# VASP uses LIBS as a list of folders
prebuildopts += 'unset LIBS && '
#prebuildopts += 'exit 1'
buildopts = 'all BLACS="$LIBBLACS" SCALAPACK="$LIBSCALAPACK"'
parallel = 1
files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
sanity_check_paths = {
'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'],
'dirs': []
}
moduleclass = 'phys'
easyblock = 'MakeCp'
name = 'VASP'
version = '5.4.4'
versionsuffix = '-mkl=paralel'
homepage = 'http://www.vasp.at'
description = """The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale
materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics,
from first principles."""
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'pic': True, 'usempi': True}
# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on how to get access to the code
sources = ['%(namelower)s.%(version)s.tar.gz']
checksums = ['8ac646b108f974371eef398973373bf6']
dependencies = [
('zlib', '1.2.11', '', True),
]
prebuildopts = 'cp arch/makefile.include.linux_intel ./makefile.include && '
# path to libfftw3xf_intel.a is hardcoded in makefile.include
prebuildopts += 'sed -i "s|\$(MKLROOT)/interfaces/fftw3xf|\$(FFTW_LIB_DIR)|" makefile.include && '
# remove mkl flag to prevent mixing dynamic libs with the static libs in LIBBLACS/SCALAPACK
prebuildopts += 'sed -i "s|-mkl=sequential|-mkl=paralel|" makefile.include && '
# OFLAG = -O2 -xAVX
prebuildopts += 'sed -i "s|OFLAG = -O2|OFLAG = -O3 -xAVX|" makefile.include && '
# objects add MKLROOT
prebuildopts += 'sed -i "s|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o \$\(MKLROOT\)/lib/intel64_lin/libfftw3xf_intel.a|" makefile.include && '
# VASP uses LIBS as a list of folders
prebuildopts += 'unset LIBS && '
#prebuildopts += 'exit 1'
buildopts = 'all BLACS="$LIBBLACS" SCALAPACK="$LIBSCALAPACK"'
parallel = 1
files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
sanity_check_paths = {
'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'],
'dirs': []
}
moduleclass = 'phys'
easyblock = 'MakeCp'
name = 'VASP'
version = '5.4.4'
versionsuffix = '-mkl=sequential'
homepage = 'http://www.vasp.at'
description = """The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale
materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics,
from first principles."""
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'pic': True, 'usempi': True}
# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on how to get access to the code
sources = ['%(namelower)s.%(version)s.tar.gz']
checksums = ['8ac646b108f974371eef398973373bf6']
dependencies = [
('zlib', '1.2.11', '', True),
]
prebuildopts = 'cp arch/makefile.include.linux_intel ./makefile.include && '
# path to libfftw3xf_intel.a is hardcoded in makefile.include
prebuildopts += 'sed -i "s|\$(MKLROOT)/interfaces/fftw3xf|\$(FFTW_LIB_DIR)|" makefile.include && '
# remove mkl flag to prevent mixing dynamic libs with the static libs in LIBBLACS/SCALAPACK
#prebuildopts += 'sed -i "s|-mkl=sequential|-mkl=cluster|" makefile.include && '
# OFLAG = -O2 -xAVX
prebuildopts += 'sed -i "s|OFLAG = -O2|OFLAG = -O3 -xAVX|" makefile.include && '
# objects add MKLROOT
prebuildopts += 'sed -i "s|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o|OBJECTS = fftmpiw.o fftmpi_map.o fft3dlib.o fftw3d.o \$\(MKLROOT\)/lib/intel64_lin/libfftw3xf_intel.a|" makefile.include && '
# VASP uses LIBS as a list of folders
prebuildopts += 'unset LIBS && '
#prebuildopts += 'exit 1'
buildopts = 'all BLACS="$LIBBLACS" SCALAPACK="$LIBSCALAPACK"'
parallel = 1
files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
sanity_check_paths = {
'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'],
'dirs': []
}
moduleclass = 'phys'
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