From a16a0cd8c18968fb0f38dcb90c70ddf6844e7f9c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Mon, 9 Mar 2020 10:57:26 +0100 Subject: [PATCH] new file: c/Cube/Cube-4.4.4-intel-2020a.eb new file: c/CubeGUI/CubeGUI-4.4.4-intel-2020a.eb new file: c/CubeLib/CubeLib-4.4.4-intel-2020a.eb new file: f/FFTW/FFTW-3.3.8-intel-2020a.eb modified: l/libGLU/libGLU-9.0.0.eb new file: o/OTF2/OTF2-2.2.eb new file: q/Qt5/Qt5-5.14.1.eb new file: s/Score-P/Score-P-6.0-intel-2020a.eb new file: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb --- c/Cube/Cube-4.4.4-intel-2020a.eb | 23 +++++++ c/CubeGUI/CubeGUI-4.4.4-intel-2020a.eb | 34 ++++++++++ c/CubeLib/CubeLib-4.4.4-intel-2020a.eb | 27 ++++++++ f/FFTW/FFTW-3.3.8-intel-2020a.eb | 26 +++++++ l/libGLU/libGLU-9.0.0.eb | 6 +- o/OTF2/OTF2-2.2.eb | 31 +++++++++ q/Qt5/Qt5-5.14.1.eb | 34 ++++++++++ s/Score-P/Score-P-6.0-intel-2020a.eb | 44 ++++++++++++ .../VASP-5.4.4-intel-2020a-mkl=sequential.eb | 67 +++++++++++++++++++ 9 files changed, 291 insertions(+), 1 deletion(-) create mode 100644 c/Cube/Cube-4.4.4-intel-2020a.eb create mode 100644 c/CubeGUI/CubeGUI-4.4.4-intel-2020a.eb create mode 100644 c/CubeLib/CubeLib-4.4.4-intel-2020a.eb create mode 100644 f/FFTW/FFTW-3.3.8-intel-2020a.eb create mode 100644 o/OTF2/OTF2-2.2.eb create mode 100644 q/Qt5/Qt5-5.14.1.eb create mode 100644 s/Score-P/Score-P-6.0-intel-2020a.eb create mode 100644 v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb diff --git a/c/Cube/Cube-4.4.4-intel-2020a.eb b/c/Cube/Cube-4.4.4-intel-2020a.eb new file mode 100644 index 00000000..b280caf8 --- /dev/null +++ b/c/Cube/Cube-4.4.4-intel-2020a.eb @@ -0,0 +1,23 @@ +# IT4Innovations 2020 + +easyblock = "Toolchain" + +name = 'Cube' +version = '4.4.4' + +homepage = 'http://www.scalasca.org/software/cube-4.x/download.html' +description = """Cube, which is used as performance report explorer for Scalasca and + Score-P, is a generic tool for displaying a multi-dimensional performance space + consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system + resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree + can be collapsed or expanded to achieve the desired level of granularity.""" + +toolchain = {'name': 'intel', 'version': '2020a'} + +dependencies = [ + ('CubeW', '4.4.3'), + ('CubeLib', '4.4.4'), + ('CubeGUI', '4.4.4'), +] + +moduleclass = 'perf' diff --git a/c/CubeGUI/CubeGUI-4.4.4-intel-2020a.eb b/c/CubeGUI/CubeGUI-4.4.4-intel-2020a.eb new file mode 100644 index 00000000..7ef1a111 --- /dev/null +++ b/c/CubeGUI/CubeGUI-4.4.4-intel-2020a.eb @@ -0,0 +1,34 @@ +# IT4Innovations 2020 + +easyblock = 'EB_Score_minus_P' + +name = 'CubeGUI' +version = '4.4.4' + +homepage = 'http://www.scalasca.org/software/cube-4.x/download.html' +description = """Cube, which is used as performance report explorer for Scalasca and + Score-P, is a generic tool for displaying a multi-dimensional performance space + consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system + resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree + can be collapsed or expanded to achieve the desired level of granularity.""" + +toolchain = {'name': 'intel', 'version': '2020a'} +toolchainopts = {'optarch': False, 'pic': True} + +source_urls = ['http://apps.fz-juelich.de/scalasca/releases/cube/4.4/dist/'] +sources = ['cubegui-%(version)s.tar.gz'] + +dependencies = [ + ('Qt', '5.14.1', '', True), + ('CubeLib', '4.4.4') +] + +configopts = '--enable-platform-mic --with-qt-specs=linux-icc-64 --with-frontend-local_compiler-suite=intel' + +sanity_check_paths = { + 'files': [], + 'dirs': ['bin', 'include', 'lib'], +} + + +moduleclass = 'perf' diff --git a/c/CubeLib/CubeLib-4.4.4-intel-2020a.eb b/c/CubeLib/CubeLib-4.4.4-intel-2020a.eb new file mode 100644 index 00000000..4cc0d7e3 --- /dev/null +++ b/c/CubeLib/CubeLib-4.4.4-intel-2020a.eb @@ -0,0 +1,27 @@ +# IT4Innovations 2020 + +easyblock = 'EB_Score_minus_P' + +name = 'CubeLib' +version = '4.4.4' + +homepage = 'http://www.scalasca.org/software/cube-4.x/download.html' +description = """Cube, which is used as performance report explorer for Scalasca and + Score-P, is a generic tool for displaying a multi-dimensional performance space + consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system + resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree + can be collapsed or expanded to achieve the desired level of granularity.""" + +toolchain = {'name': 'intel', 'version': '2020a'} +toolchainopts = {'optarch': False, 'pic': True} + +source_urls = ['http://apps.fz-juelich.de/scalasca/releases/cube/4.4/dist/'] +sources = ['cubelib-%(version)s.tar.gz'] + +sanity_check_paths = { + 'files': [], + 'dirs': ['bin', 'include', 'lib'], +} + + +moduleclass = 'perf' diff --git a/f/FFTW/FFTW-3.3.8-intel-2020a.eb b/f/FFTW/FFTW-3.3.8-intel-2020a.eb new file mode 100644 index 00000000..80037ba9 --- /dev/null +++ b/f/FFTW/FFTW-3.3.8-intel-2020a.eb @@ -0,0 +1,26 @@ +# IT4Innovations 2020 + +name = 'FFTW' +version = '3.3.8' + +homepage = 'http://www.fftw.org' +description = """FFTW is a C subroutine library for local_computing the discrete Fourier transform (DFT) + in one or more dimensions, of arbitrary input size, and of both real and local_complex data.""" + +toolchain = {'name': 'intel', 'version': '2020a'} +toolchainopts = {'pic': True} + +source_urls = [homepage] +sources = [SOURCELOWER_TAR_GZ] + +# no quad precision, requires GCC v4.6 or higher +# see also +# http://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html +with_quad_prec = False + +# local_compilation fails when configuring with --enable-avx-128-fma, Intel local_compilers do not support FMA4 instructions +use_fma4 = False + +runtest = 'check' + +moduleclass = 'numlib' diff --git a/l/libGLU/libGLU-9.0.0.eb b/l/libGLU/libGLU-9.0.0.eb index 9f3c5717..e5e73441 100644 --- a/l/libGLU/libGLU-9.0.0.eb +++ b/l/libGLU/libGLU-9.0.0.eb @@ -8,7 +8,7 @@ version = '9.0.0' homepage = 'ftp://ftp.freedesktop.org/pub/mesa/glu/' description = """The OpenGL Utility Library (GLU) is a local_computer graphics library for OpenGL. """ -toolchain = { +toolchain = SYSTEM toolchainopts = {'pic': True} source_urls = [ @@ -20,6 +20,10 @@ dependencies = [ ('Mesa', '18.3.1'), ] +builddependencies = [ + ('binutils', '2.32'), +] + sanity_check_paths = { 'files': ['lib/libGLU.so.1'], diff --git a/o/OTF2/OTF2-2.2.eb b/o/OTF2/OTF2-2.2.eb new file mode 100644 index 00000000..34d928b8 --- /dev/null +++ b/o/OTF2/OTF2-2.2.eb @@ -0,0 +1,31 @@ +# IT4Innovations 2020 + +easyblock = 'EB_Score_minus_P' + +name = 'OTF2' +version = '2.2' + +homepage = 'http://www.score-p.org' +description = """The Open Trace Format 2 is a highly scalable, memory efficient event + trace data format plus support library. It is the new standard trace format for + Scalasca, Vampir, and TAU and is open for other tools.""" + +toolchain = SYSTEM + +sources = [SOURCELOWER_TAR_GZ] +source_urls = ['https://www.vi-hps.org/cms/upload/packages/otf2/'] + +builddependencies = [('SIONlib', '1.6.1', '-tools')] + +configopts = '--enable-shared' + +sanity_check_paths = { + 'files': [ + "bin/otf2-config", + "include/otf2/otf2.h", + ("lib/libotf2.a", + "lib64/libotf2.a")], + 'dirs': [], +} + +moduleclass = 'perf' diff --git a/q/Qt5/Qt5-5.14.1.eb b/q/Qt5/Qt5-5.14.1.eb new file mode 100644 index 00000000..31aded36 --- /dev/null +++ b/q/Qt5/Qt5-5.14.1.eb @@ -0,0 +1,34 @@ +# IT4Innovation 2020 + +easyblock = 'EB_Qt' + +name = 'Qt5' +version = '5.14.1' + +homepage = 'http://qt.io/' +description = "Qt is a local_comprehensive cross-platform C++ application framework." + +toolchain = SYSTEM + +source_urls = ['https://download.qt.io/archive/qt/5.14/5.14.1/single'] +sources = ['qt-everywhere-src-%(version)s.tar.xz'] + +#patches = ['Qt5-5.11.1.patch'] + +builddependencies = [ + ('pkg-config', '0.29.2'), +] + +# qtgamepad needs recent kernel/libevdev (fails on RHEL 6.x) +#configopts = '-sbkip qtgamepad' +platform = 'linux-g++-64' + +dependencies = [ + ('GLib', '2.62.4'), + ('libpng', '1.6.37'), + ('X11', '20190717'), + ('libGLU', '9.0.0'), + ('Mesa', '18.3.1'), +] + +moduleclass = 'devel' diff --git a/s/Score-P/Score-P-6.0-intel-2020a.eb b/s/Score-P/Score-P-6.0-intel-2020a.eb new file mode 100644 index 00000000..0b714996 --- /dev/null +++ b/s/Score-P/Score-P-6.0-intel-2020a.eb @@ -0,0 +1,44 @@ +# IT4Innovations 2020 + +easyblock = 'EB_Score_minus_P' + +name = 'Score-P' +version = '6.0' + +homepage = 'http://www.score-p.org' +description = """The Score-P measurement infrastructure is a highly scalable and + easy-to-use tool suite for profiling, event tracing, and online analysis of HPC + applications.""" + +toolchain = {'name': 'intel', 'version': '2020a'} + +source_urls = ['https://www.vi-hps.org/cms/upload/packages/scorep/'] +sources = ['scorep-%(version)s.tar.gz'] + +dependencies = [ + ('Cube', '4.4.3'), + ('OPARI2', '2.0.2', '', True), + ('OTF2', '2.2', '', True), + ('PAPI', '5.5.1', '', True), + ('PDT', '3.24', '', True), +] + +configopts = '--enable-shared' + +sanity_check_paths = { + 'files': [ + "bin/scorep", + "include/scorep/SCOREP_User.h", + ("lib/libscorep_adapter_mpi_event.a", + "lib64/libscorep_adapter_mpi_event.a"), + ("lib/libscorep_adapter_mpi_event.%s" % + SHLIB_EXT, + "lib64/libscorep_adapter_mpi_event.%s" % + SHLIB_EXT)], + 'dirs': [], +} + +# Ensure that local metric documentation is found by Cube GUI +modextrapaths = {'CUBE_DOCPATH': 'share/doc/scorep/profile'} + +moduleclass = 'perf' diff --git a/v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb b/v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb new file mode 100644 index 00000000..65be45ee --- /dev/null +++ b/v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential.eb @@ -0,0 +1,67 @@ +# IT4Innovations 2020 + +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 local_computer program for atomic scale +materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, +from first principles. + +To use VASP, You need academic licenses from University of Wiena. Follow the instructions https://www.vasp.at/index.php/faqs. + +Then send us please a list of authorized users and their ID for which you need this access. Please use only http://support.it4i.cz/rt. We are responsible to verify your licenses. After succesfull verification You will be granted to use VASP in our enviroment.""" + +toolchain = {'name': 'intel', 'version': '2020a'} +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 ||" makefile.include && ' + +# OFLAG = -O2 -xAVX +prebuildopts += 'sed -i "s|OFLAG = -O2|OFLAG = -O2 -ip -xHost|" 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 && ' + +prebuildopts += 'sed -i "s|FFLAGS = -assume byterecl -w|FFLAGS = -FR -assume byterecl|" makefile.include && ' +prebuildopts += 'sed -i "s|BLAS =|BLAS = -mkl=sequential|" 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': [] +} + +modluafooter = 'add_property("state","license")' + +moduleclass = 'phys'