Commit c809a96f authored by Lukáš Krupčík's avatar Lukáš Krupčík

new file: e/Embree/Embree-2.16.2.eb

	new file:   g/GDAL/GDAL-2.1.3-Python-2.7.13-without-intel.eb
	new file:   i/ispc/ispc-1.9.1.eb
	new file:   o/OSPRay/OSPRay-1.3.0.eb
	new file:   p/ParaView/ParaView-5.1.2-intel-2017a-mpi-OSPRay.eb
	new file:   p/ParaView/Paraview-5.1.2-intel-2017a-OSPRay.eb
	new file:   s/Sen2Cor/Sen2Cor-2.3.1-Python-2.7.13.eb
	new file:   s/Sen2Cor/Sen2Cor-2.3.1-Python-2.7.13.patch
	new file:   v/VASP/VASP-5.4.4-intel-2017a-03.eb
	modified:   v/VASP/VASP-5.4.4-intel-2017a.eb
parent 618e522e
easyblock = 'CMakeMake'
name = 'Embree'
version = '2.16.2'
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'}
source_urls = ['https://github.com/embree/embree/archive']
sources = ['v%(version)s.tar.gz']
builddependencies = [
('CMake', '3.8.1', '', True),
]
dependencies = [
('tbb', '4.4.2.152', '', True),
('ispc', '1.9.1', '', True),
]
separate_build_dir = True
sanity_check_paths = {
'files': ['lib/libospray.so'],
'dirs': ['bin', 'lib'],
}
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'
easyblock = 'Tarball'
name = 'ispc'
version = '1.9.1'
homepage = 'http://ispc.github.io/ , https://github.com/ispc/ispc/'
description = """Intel SPMD Program Compilers; An open-source compiler for high-performance
SIMD programming on the CPU. ispc is a compiler for a variant of the C programming language,
with extensions for 'single program, multiple data' (SPMD) programming.
Under the SPMD model, the programmer writes a program that generally appears
to be a regular serial program, though the execution model is actually that
a number of program instances execute in parallel on the hardware."""
toolchain = {'name': 'dummy', 'version': 'dummy'}
sources = ['ispc-v%(version)s-linux.tar.gz']
source_urls = [('http://sourceforge.net/projects/ispcmirror/files/v%(version)s', 'download')]
sanity_check_paths = {
'files': ["ispc"],
'dirs': []
}
modextrapaths = {'PATH': ''}
moduleclass = 'compiler'
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': 'GCC', 'version': '6.3.0-2.27'}
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 = []
separate_build_dir = True
#skipsteps= ['configure', 'build']
sanity_check_paths = {
'files': ['lib/libospray.so'],
'dirs': ['bin', 'lib'],
}
# add the top dir to PATH
modextrapaths = {
'PATH': ''
}
moduleclass = 'vis'
easyblock = 'CMakeMake'
name = 'ParaView'
version = '5.1.2'
versionsuffix = '-mpi-OSPRay'
homepage = "http://www.paraview.org"
description = "ParaView is a scientific parallel visualizer."
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'pic': True, 'usempi': True}
download_suffix = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=all&downloadFile='
source_urls = ['http://www.paraview.org/paraview-downloads/%s' % download_suffix]
sources = ["ParaView-v%(version)s.tar.gz"]
dependencies = [
('X11', '20170314', '', True),
('Mesa', '12.0.2'),
('libGLU', '9.0.0', '', True),
('Qt', '4.8.6', '', True),
('zlib', '1.2.11', '', True),
('HDF5', '1.8.17'),
('Python', '2.7.13', '', True),
]
builddependencies = [('CMake', '3.8.1', '', True)]
separate_build_dir = True
configopts = '-DPARAVIEW_INSTALL_DEVELOPMENT_FILES=ON -DVTK_OPENGL_HAS_OSMESA=ON -DPARAVIEW_USE_MPI=ON '
configopts += '-DOPENGL_INCLUDE_DIR=$EBROOTMESA/include -DOPENGL_gl_LIBRARY=$EBROOTMESA/lib/libGL.%s ' % SHLIB_EXT
configopts += '-DOSMESA_INCLUDE_DIR=$EBROOTMESA/include -DOSMESA_LIBRARY=$EBROOTMESA/lib/libOSMesa.%s ' % SHLIB_EXT
configopts += '-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s ' % SHLIB_EXT
configopts += '-DVTK_USE_SYSTEM_HDF5=ON -DPARAVIEW_ENABLE_PYTHON=ON -DBUILD_SHARED_LIBS=ON -DVTK_RENDERING_BACKEND=OpenGL2 '
# if you want to build server only Paraview, uncomment the following line:
# configopts += '-DVTK_USE_X=OFF '
# Without internet connection turn off testing (uncomment the following line)
configopts += '-DBUILD_TESTING=OFF '
# Or consult https://gitlab.kitware.com/vtk/vtk/blob/master/Documentation/dev/git/data.md
# and download ExternalData to $EASYBUILD_SOURCEPATH and adjust -DExternalData_OBJECT_STORES accordingly
# Without internet connection, comment the following two lines (configopts and prebuildopts)
configopts += '-DExternalData_OBJECT_STORES=%(builddir)s/ExternalData '
# The ParaView server can be cranky, test downloads are quite often failing, especially in the case
# of parallel downloads. Using ; insted of && gives a second chance to download the test files, if the
# first serial attempt would fail.
prebuildopts = 'make VTKData ;'
moduleclass = 'vis'
easyblock = 'PackedBinary'
name = 'ParaView'
version = '5.1.2'
versionsuffix = '-OSPRay'
homepage = "http://www.paraview.org"
description = "ParaView is a scientific parallel visualizer."
toolchain = {'name': 'dummy', 'version': ''}
download_suffix = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=all&downloadFile='
source_urls = ['http://www.paraview.org/paraview-downloads/%s' % download_suffix]
sources = ["PV5_1_2_pvOSPRay_linux_x86_64.tgz"]
dependencies = [('intel', '2017a')]
install_cmd = "cp -a PV5_1_2_pvOSPRay_linux_x86_64/* %(installdir)s/ && find %(installdir)s/ -type d -exec chmod 755 {} \; "
sanity_check_paths = {
'files': ['bin/paraview'],
'dirs': ['bin', 'lib'],
}
moduleclass = 'vis'
easyblock = "PythonPackage"
name = 'Sen2Cor'
version = '2.3.1'
homepage = 'http://step.esa.int/main/third-party-plugins-2/sen2cor/'
description = """Sen2Cor is a processor for Sentinel-2 Level 2A product generation and formatting;
it performs the atmospheric-, terrain and cirrus correction of Top-Of- Atmosphere Level 1C input data.
Sen2Cor creates Bottom-Of-Atmosphere, optionally terrain- and cirrus corrected reflectance images;
additional, Aerosol Optical Thickness-, Water Vapor-, Scene Classification Maps and Quality Indicators
for cloud and snow probabilities. Its output product format is equivalent to the Level 1C User Product:
JPEG 2000 images, three different resolutions, 60, 20 and 10 m."""
toolchain = {'name': 'dummy', 'version': ''}
source_urls = ['http://step.esa.int/thirdparties/sen2cor/%(version)s/']
sources = ['%(namelower)s-%(version)s.tar.gz']
python = "Python"
python_version = "2.7.13"
versionsuffix = '-%s-%s' % (python, python_version)
patches = ['%(name)s-%(version)s-Python-2.7.13.patch']
dependencies = [
(python, python_version),
('GDAL', '2.1.3', '-%s-%s' % (python, python_version)),
]
sanity_check_paths = {
'files': ['bin/L2A_Process', 'bin/L2A_Process-02.03.01', 'bin/L2A_Process-2.3.1'],
'dirs': ['lib']
}
moduleclass = 'phys'
--- setup.py.orig 2017-02-02 09:37:32.000000000 +0100
+++ setup.py 2017-06-19 11:12:03.788380266 +0200
@@ -35,7 +35,7 @@
def copyConfiguration():
sys.stdout.write('\nSEN2COR ' + version + ' setup script:\n')
sys.stdout.write('This will finish the configuration of the environment settings.\n')
- user_input = raw_input('\nOK to continue? [y/n]: ')
+ user_input = 'y'
if user_input == 'n':
return False
@@ -46,7 +46,7 @@
while True:
sys.stdout.write('\nPlease input a path for the sen2cor home directory:\n')
sys.stdout.write('default is: ' + SEN2COR_HOME + '\n')
- user_input = raw_input('Is this OK? [y/n]: ')
+ user_input = 'y'
if user_input == 'n':
SEN2COR_HOME = raw_input('New path: ')
sys.stdout.write('New path is: ' + SEN2COR_HOME + '\n')
easyblock = 'MakeCp'
name = 'VASP'
version = '5.4.4'
versionsuffix = '-O3'
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 = ['%s.%s.tar.gz' % (name.lower(), version)]
dependencies = [
('FFTW', '3.3.6'),
('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||" makefile.include && '
# change -O2 to -O3
prebuildopts += 'sed -i "s|-O2|-O3|" makefile.include && '
# VASP uses LIBS as a list of folders
prebuildopts += 'unset LIBS && '
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'
......@@ -2,6 +2,7 @@ easyblock = 'MakeCp'
name = 'VASP'
version = '5.4.4'
versionsuffix = '-test-fftw'
homepage = 'http://www.vasp.at'
description = """The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale
......@@ -12,10 +13,11 @@ 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 = ['%s.%s.tar.gz' % (name.lower(), version)]
sources = ['%(namelower)s.%(version)s.tar.gz']
checksums = ['8ac646b108f974371eef398973373bf6']
dependencies = [
('FFTW', '3.3.6'),
('zlib', '1.2.11', '', True),
]
......
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