mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 23:42:12 +01:00
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
This commit is contained in:
Lukáš Krupčík
parent
7a084e78b9
commit
2ff45ecc5d
37
\
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37
\
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@ -0,0 +1,37 @@
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easyblock = 'CMakeMake'
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name = 'OSPRay'
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version = '1.3.0'
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homepage = 'http://www.ospray.org'
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description = """
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A Ray Tracing Based Rendering Engine for High-Fidelity Visualization"""
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toolchain = {'name': 'intel', 'version': '2017a'}
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source_urls = ['https://github.com/ospray/OSPRay/archive/']
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sources = ['v%(version)s.tar.gz']
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builddependencies = [
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('CMake', '3.8.1', '', True),
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]
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dependencies = [
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('tbb', '2017.6.196', '', True),
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('Embree', '2.16.2'),
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]
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separate_build_dir = True
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#skipsteps= ['configure', 'build']
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sanity_check_paths = {
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'files': ['lib64/libospray.so'],
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'dirs': ['bin', 'lib64'],
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}
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# add the top dir to PATH
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modextrapaths = {
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'PATH': ''
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}
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moduleclass = 'vis'
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@ -7,7 +7,7 @@ homepage = 'https://embree.github.io/index.html'
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description = """
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Embree is a collection of high-performance ray tracing kernels, developed at Intel."""
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toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
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toolchain = {'name': 'intel', 'version': '2017a'}
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source_urls = ['https://github.com/embree/embree/archive']
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sources = ['v%(version)s.tar.gz']
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@ -17,15 +17,22 @@ builddependencies = [
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]
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dependencies = [
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('tbb', '4.4.2.152', '', True),
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('tbb', '2017.6.196', '', True),
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('ispc', '1.9.1', '', True),
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('freeglut', '3.0.0'),
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]
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configopts = '-DTBB_INCLUDE_DIR=$TBBROOT/include -DTBB_LIBRARY=$TBBROOT/lib/libtbb.so -DTBB_LIBRARY_MALLOC=$TBBROOT/lib/libtbbmalloc.so'
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separate_build_dir = True
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modextrapaths = {
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'PATH': ['bin/embree2'],
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}
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sanity_check_paths = {
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'files': ['lib/libospray.so'],
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'dirs': ['bin', 'lib'],
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'files': ['lib64/libembree.so'],
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'dirs': ['bin', 'lib64'],
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}
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moduleclass = 'lib'
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@ -1,47 +0,0 @@
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easyblock = 'ConfigureMake'
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name = 'GDAL'
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version = '2.1.3'
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versionsuffix = '-Python-%(pyver)s-without-intel'
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homepage = 'http://www.gdal.org/'
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description = """GDAL is a translator library for raster geospatial data formats that is released under an X/MIT style
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Open Source license by the Open Source Geospatial Foundation. As a library, it presents a single abstract data model
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to the calling application for all supported formats. It also comes with a variety of useful commandline utilities for
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data translation and processing."""
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toolchain = {'name': 'dummy', 'version': ''}
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source_urls = ['http://download.osgeo.org/gdal/%(version)s/']
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sources = [SOURCELOWER_TAR_XZ]
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patches = ['GDAL-%(version)s_fix-uchar-definition.patch']
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dependencies = [
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('Python', '2.7.13'),
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# ('netCDF', '4.4.1.1', '', ('intel', '2017a')),
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('expat', '2.2.0'),
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('GEOS', '3.6.1', '-Python-%(pyver)s'),
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('SQLite', '3.17.0'),
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('libxml2', '2.9.4'),
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('libpng', '1.6.29'),
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('libjpeg-turbo', '1.5.1'),
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# ('JasPer', '2.0.12', '', ('intel', '2017a')),
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('LibTIFF', '4.0.7'),
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('zlib', '1.2.11'),
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# ('cURL', '7.53.1'),
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('PCRE', '8.40'),
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]
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configopts = '--with-expat=$EBROOTEXPAT --with-libz=$EBROOTLIBZ --with-netcdf=$EBROOTNETCDF'
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configopts += ' --with-xml2=$EBROOTLIBXML2 --with-geos=$EBROOTGEOS/bin/geos-config --with-jpeg=$EBROOTLIBJPEGMINTURBO'
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configopts += ' --with-png=$EBROOTLIBPNG --with-sqlite3=$EBROOTSQLITE --with-jasper=$EBROOTJASPER'
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configopts += ' --with-libtiff=$EBROOTLIBTIFF --with-pcre=$EBROOTPCRE --with-python=$EBROOTPYTHON/bin/python'
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modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
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sanity_check_paths = {
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'files': ['lib/libgdal.a', 'lib/libgdal.%s' % SHLIB_EXT],
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'dirs': ['bin', 'include', 'lib/python%(pyshortver)s/site-packages']
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}
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moduleclass = 'data'
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@ -6,25 +6,27 @@ version = '1.3.0'
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homepage = 'http://www.ospray.org'
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description = """
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A Ray Tracing Based Rendering Engine for High-Fidelity Visualization"""
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toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
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toolchain = {'name': 'intel', 'version': '2017a'}
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source_urls = ['https://github.com/ospray/OSPRay/archive/']
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sources = ['v%(version)s.tar.gz']
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builddependencies = [
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('CMake', '3.8.1', '', True),
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('tbb', '4.4.2.152', '', True)
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]
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dependencies = []
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dependencies = [
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('tbb', '2017.6.196', '', True),
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('Embree', '2.16.2'),
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]
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separate_build_dir = True
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#skipsteps= ['configure', 'build']
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sanity_check_paths = {
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'files': ['lib/libospray.so'],
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'dirs': ['bin', 'lib'],
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'files': ['lib64/libospray.so'],
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'dirs': ['bin', 'lib64'],
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}
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# add the top dir to PATH
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@ -1,3 +1,5 @@
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# L2A_AtmCorr.so dela problemy, chce to jeste vyladit
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easyblock = "PythonPackage"
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name = 'Sen2Cor'
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@ -28,7 +30,7 @@ dependencies = [
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]
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sanity_check_paths = {
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'files': ['bin/L2A_Process', 'bin/L2A_Process-02.03.01', 'bin/L2A_Process-2.3.1'],
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'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'],
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'dirs': ['lib']
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}
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22
t/tbb/tbb-2017.6.196.eb
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22
t/tbb/tbb-2017.6.196.eb
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name = 'tbb'
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version = '2017.6.196'
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homepage = 'http://software.intel.com/en-us/articles/intel-tbb/'
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description = """Intel Threading Building Blocks 4.0 (Intel TBB)
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is a widely used, award-winning C++ template library for creating reliable,
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portable, and scalable parallel applications.
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Use Intel TBB for a simple and rapid way of developing robust task-based
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parallel applications that scale to available processor cores, are compatible
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with multiple environments, and are easier to maintain.
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Intel TBB is the most proficient way to implement future-proof parallel applications
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that tap into the power and performance of multicore and manycore hardware platforms."""
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toolchain = {'name': 'dummy', 'version': ''}
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sources = ['l_%(name)s_%(version)s.tgz']
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requires_runtime_license = False
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dontcreateinstalldir = 'True'
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moduleclass = 'lib'
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54
v/VASP/VASP-5.4.4-intel-2017a-mkl=cluster.eb
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54
v/VASP/VASP-5.4.4-intel-2017a-mkl=cluster.eb
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easyblock = 'MakeCp'
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name = 'VASP'
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version = '5.4.4'
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versionsuffix = '-mkl=cluster'
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homepage = 'http://www.vasp.at'
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description = """The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale
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materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics,
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from first principles."""
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toolchain = {'name': 'intel', 'version': '2017a'}
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toolchainopts = {'pic': True, 'usempi': True}
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# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on how to get access to the code
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sources = ['%(namelower)s.%(version)s.tar.gz']
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checksums = ['8ac646b108f974371eef398973373bf6']
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dependencies = [
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('zlib', '1.2.11', '', True),
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]
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prebuildopts = 'cp arch/makefile.include.linux_intel ./makefile.include && '
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# path to libfftw3xf_intel.a is hardcoded in makefile.include
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prebuildopts += 'sed -i "s|\$(MKLROOT)/interfaces/fftw3xf|\$(FFTW_LIB_DIR)|" makefile.include && '
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# remove mkl flag to prevent mixing dynamic libs with the static libs in LIBBLACS/SCALAPACK
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prebuildopts += 'sed -i "s|-mkl=sequential|-mkl=cluster|" makefile.include && '
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# OFLAG = -O2 -xAVX
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prebuildopts += 'sed -i "s|OFLAG = -O2|OFLAG = -O3 -xAVX|" makefile.include && '
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# objects add MKLROOT
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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 && '
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# VASP uses LIBS as a list of folders
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prebuildopts += 'unset LIBS && '
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#prebuildopts += 'exit 1'
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buildopts = 'all BLACS="$LIBBLACS" SCALAPACK="$LIBSCALAPACK"'
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parallel = 1
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files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
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sanity_check_paths = {
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'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'],
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'dirs': []
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}
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moduleclass = 'phys'
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54
v/VASP/VASP-5.4.4-intel-2017a-mkl=paralel.eb
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54
v/VASP/VASP-5.4.4-intel-2017a-mkl=paralel.eb
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easyblock = 'MakeCp'
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name = 'VASP'
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version = '5.4.4'
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versionsuffix = '-mkl=paralel'
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homepage = 'http://www.vasp.at'
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description = """The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale
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materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics,
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from first principles."""
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toolchain = {'name': 'intel', 'version': '2017a'}
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toolchainopts = {'pic': True, 'usempi': True}
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# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on how to get access to the code
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sources = ['%(namelower)s.%(version)s.tar.gz']
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checksums = ['8ac646b108f974371eef398973373bf6']
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dependencies = [
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('zlib', '1.2.11', '', True),
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]
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prebuildopts = 'cp arch/makefile.include.linux_intel ./makefile.include && '
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# path to libfftw3xf_intel.a is hardcoded in makefile.include
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prebuildopts += 'sed -i "s|\$(MKLROOT)/interfaces/fftw3xf|\$(FFTW_LIB_DIR)|" makefile.include && '
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# remove mkl flag to prevent mixing dynamic libs with the static libs in LIBBLACS/SCALAPACK
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prebuildopts += 'sed -i "s|-mkl=sequential|-mkl=paralel|" makefile.include && '
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# OFLAG = -O2 -xAVX
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prebuildopts += 'sed -i "s|OFLAG = -O2|OFLAG = -O3 -xAVX|" makefile.include && '
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# objects add MKLROOT
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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 && '
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# VASP uses LIBS as a list of folders
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prebuildopts += 'unset LIBS && '
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#prebuildopts += 'exit 1'
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buildopts = 'all BLACS="$LIBBLACS" SCALAPACK="$LIBSCALAPACK"'
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parallel = 1
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files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
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sanity_check_paths = {
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'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'],
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'dirs': []
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}
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moduleclass = 'phys'
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54
v/VASP/VASP-5.4.4-intel-2017a-mkl=sequential.eb
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54
v/VASP/VASP-5.4.4-intel-2017a-mkl=sequential.eb
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easyblock = 'MakeCp'
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name = 'VASP'
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version = '5.4.4'
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versionsuffix = '-mkl=sequential'
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homepage = 'http://www.vasp.at'
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description = """The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale
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materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics,
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from first principles."""
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toolchain = {'name': 'intel', 'version': '2017a'}
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toolchainopts = {'pic': True, 'usempi': True}
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# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on how to get access to the code
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sources = ['%(namelower)s.%(version)s.tar.gz']
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checksums = ['8ac646b108f974371eef398973373bf6']
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dependencies = [
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('zlib', '1.2.11', '', True),
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]
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prebuildopts = 'cp arch/makefile.include.linux_intel ./makefile.include && '
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# path to libfftw3xf_intel.a is hardcoded in makefile.include
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prebuildopts += 'sed -i "s|\$(MKLROOT)/interfaces/fftw3xf|\$(FFTW_LIB_DIR)|" makefile.include && '
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# remove mkl flag to prevent mixing dynamic libs with the static libs in LIBBLACS/SCALAPACK
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#prebuildopts += 'sed -i "s|-mkl=sequential|-mkl=cluster|" makefile.include && '
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# OFLAG = -O2 -xAVX
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prebuildopts += 'sed -i "s|OFLAG = -O2|OFLAG = -O3 -xAVX|" makefile.include && '
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# objects add MKLROOT
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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 && '
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# VASP uses LIBS as a list of folders
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prebuildopts += 'unset LIBS && '
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#prebuildopts += 'exit 1'
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buildopts = 'all BLACS="$LIBBLACS" SCALAPACK="$LIBSCALAPACK"'
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parallel = 1
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files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
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sanity_check_paths = {
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'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'],
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'dirs': []
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}
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moduleclass = 'phys'
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