From 2ff45ecc5d57bf1bf208fdf7a9e2f56c7850018c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Mon, 19 Jun 2017 17:16:41 +0200 Subject: [PATCH] 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 --- "\\" | 37 +++++++++++++ ...Embree-2.16.2.eb => Embree-intel-2017a.eb} | 15 ++++-- .../GDAL-2.1.3-Python-2.7.13-without-intel.eb | 47 ---------------- o/OSPRay/OSPRay-1.3.0.eb | 12 +++-- s/Sen2Cor/Sen2Cor-2.3.1-Python-2.7.13.eb | 4 +- t/tbb/tbb-2017.6.196.eb | 22 ++++++++ v/VASP/VASP-5.4.4-intel-2017a-mkl=cluster.eb | 54 +++++++++++++++++++ v/VASP/VASP-5.4.4-intel-2017a-mkl=paralel.eb | 54 +++++++++++++++++++ .../VASP-5.4.4-intel-2017a-mkl=sequential.eb | 54 +++++++++++++++++++ 9 files changed, 242 insertions(+), 57 deletions(-) create mode 100644 "\\" rename e/Embree/{Embree-2.16.2.eb => Embree-intel-2017a.eb} (57%) delete mode 100644 g/GDAL/GDAL-2.1.3-Python-2.7.13-without-intel.eb create mode 100644 t/tbb/tbb-2017.6.196.eb create mode 100644 v/VASP/VASP-5.4.4-intel-2017a-mkl=cluster.eb create mode 100644 v/VASP/VASP-5.4.4-intel-2017a-mkl=paralel.eb create mode 100644 v/VASP/VASP-5.4.4-intel-2017a-mkl=sequential.eb diff --git "a/\\" "b/\\" new file mode 100644 index 00000000..c9d4c2e5 --- /dev/null +++ "b/\\" @@ -0,0 +1,37 @@ +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' diff --git a/e/Embree/Embree-2.16.2.eb b/e/Embree/Embree-intel-2017a.eb similarity index 57% rename from e/Embree/Embree-2.16.2.eb rename to e/Embree/Embree-intel-2017a.eb index 99b5f3bc..c65ae5a7 100644 --- a/e/Embree/Embree-2.16.2.eb +++ b/e/Embree/Embree-intel-2017a.eb @@ -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=$TBBROOT/lib/libtbbmalloc.so' + separate_build_dir = True +modextrapaths = { + 'PATH': ['bin/embree2'], +} + sanity_check_paths = { - 'files': ['lib/libospray.so'], - 'dirs': ['bin', 'lib'], + 'files': ['lib64/libembree.so'], + 'dirs': ['bin', 'lib64'], } moduleclass = 'lib' diff --git a/g/GDAL/GDAL-2.1.3-Python-2.7.13-without-intel.eb b/g/GDAL/GDAL-2.1.3-Python-2.7.13-without-intel.eb deleted file mode 100644 index 70f3d9a2..00000000 --- a/g/GDAL/GDAL-2.1.3-Python-2.7.13-without-intel.eb +++ /dev/null @@ -1,47 +0,0 @@ -easyblock = 'ConfigureMake' - -name = 'GDAL' -version = '2.1.3' -versionsuffix = '-Python-%(pyver)s-without-intel' - -homepage = 'http://www.gdal.org/' -description = """GDAL is a translator library for raster geospatial data formats that is released under an X/MIT style - Open Source license by the Open Source Geospatial Foundation. As a library, it presents a single abstract data model - to the calling application for all supported formats. It also comes with a variety of useful commandline utilities for - data translation and processing.""" - -toolchain = {'name': 'dummy', 'version': ''} - -source_urls = ['http://download.osgeo.org/gdal/%(version)s/'] -sources = [SOURCELOWER_TAR_XZ] -patches = ['GDAL-%(version)s_fix-uchar-definition.patch'] - -dependencies = [ - ('Python', '2.7.13'), -# ('netCDF', '4.4.1.1', '', ('intel', '2017a')), - ('expat', '2.2.0'), - ('GEOS', '3.6.1', '-Python-%(pyver)s'), - ('SQLite', '3.17.0'), - ('libxml2', '2.9.4'), - ('libpng', '1.6.29'), - ('libjpeg-turbo', '1.5.1'), -# ('JasPer', '2.0.12', '', ('intel', '2017a')), - ('LibTIFF', '4.0.7'), - ('zlib', '1.2.11'), -# ('cURL', '7.53.1'), - ('PCRE', '8.40'), -] - -configopts = '--with-expat=$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' diff --git a/o/OSPRay/OSPRay-1.3.0.eb b/o/OSPRay/OSPRay-1.3.0.eb index 28d96cf4..c9d4c2e5 100644 --- a/o/OSPRay/OSPRay-1.3.0.eb +++ b/o/OSPRay/OSPRay-1.3.0.eb @@ -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 diff --git a/s/Sen2Cor/Sen2Cor-2.3.1-Python-2.7.13.eb b/s/Sen2Cor/Sen2Cor-2.3.1-Python-2.7.13.eb index 3b822980..39b3fab0 100644 --- a/s/Sen2Cor/Sen2Cor-2.3.1-Python-2.7.13.eb +++ b/s/Sen2Cor/Sen2Cor-2.3.1-Python-2.7.13.eb @@ -1,3 +1,5 @@ +# 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'] } diff --git a/t/tbb/tbb-2017.6.196.eb b/t/tbb/tbb-2017.6.196.eb new file mode 100644 index 00000000..28c7a670 --- /dev/null +++ b/t/tbb/tbb-2017.6.196.eb @@ -0,0 +1,22 @@ +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' diff --git a/v/VASP/VASP-5.4.4-intel-2017a-mkl=cluster.eb b/v/VASP/VASP-5.4.4-intel-2017a-mkl=cluster.eb new file mode 100644 index 00000000..4f3ab833 --- /dev/null +++ b/v/VASP/VASP-5.4.4-intel-2017a-mkl=cluster.eb @@ -0,0 +1,54 @@ +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' diff --git a/v/VASP/VASP-5.4.4-intel-2017a-mkl=paralel.eb b/v/VASP/VASP-5.4.4-intel-2017a-mkl=paralel.eb new file mode 100644 index 00000000..e33b49e7 --- /dev/null +++ b/v/VASP/VASP-5.4.4-intel-2017a-mkl=paralel.eb @@ -0,0 +1,54 @@ +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' diff --git a/v/VASP/VASP-5.4.4-intel-2017a-mkl=sequential.eb b/v/VASP/VASP-5.4.4-intel-2017a-mkl=sequential.eb new file mode 100644 index 00000000..0a95b84a --- /dev/null +++ b/v/VASP/VASP-5.4.4-intel-2017a-mkl=sequential.eb @@ -0,0 +1,54 @@ +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'