Anselm ... GNU/6.3.0/2.27

This commit is contained in:
Lukas Krupcik 2017-03-17 09:27:42 +01:00
parent ead863d434
commit 29a53ee6a2
29 changed files with 1190 additions and 1 deletions

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@ -0,0 +1,34 @@
name = 'CGAL'
version = '4.8.1'
homepage = 'http://www.cgal.org/'
description = """The goal of the CGAL Open Source Project is to provide easy access to efficient
and reliable geometric algorithms in the form of a C++ library."""
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'strict': True}
source_urls = ['https://github.com/CGAL/cgal/releases/download/releases%2FCGAL-%(version)s']
sources = [SOURCE_TAR_XZ]
dependencies = [
('zlib', '1.2.11', '', True),
('Boost', '1.63.0'),
('MPFR', '3.1.4'),
('GMP', '6.1.1'),
('libGLU', '9.0.0'),
('Qt5', '5.7.0'),
]
builddependencies = [
('CMake', '3.7.2', '', True),
('Eigen', '3.2.9', '', True),
]
configopts = "-DOPENGL_INCLUDE_DIR=$EBROOTMESA/include\;$EBROOTLIBGLU/include "
configopts += "-DOPENGL_gl_LIBRARY=$EBROOTMESA/lib/libGL.%s " % SHLIB_EXT
configopts += "-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s " % SHLIB_EXT
configopts += "-DWITH_ZLIB=ON -DWITH_MPFR=ON -DWITH_OpenGL=ON -DWITH_Eigen3=ON "
configopts += "-DWITH_GMPXX=ON -DWITH_LAPACK=ON -DWITH_BLAS=ON "
moduleclass = 'numlib'

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@ -0,0 +1,16 @@
easyblock = 'Toolchain'
name = 'CORALbenchmark'
version = '1.00'
homepage = 'https://asc.llnl.gov/CORAL-benchmarks'
description = 'Benchmark Codes'
toolchain = {'name': 'foss', 'version': '2016a'}
dependencies = [
('QBOX', 'r140b'),
('LSMS', '3_rev237'),
]
moduleclass = 'tools'

21
c/cURL/cURL-7.53.1.eb Normal file
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@ -0,0 +1,21 @@
easyblock = 'ConfigureMake'
name = 'cURL'
version = '7.53.1'
homepage = 'http://curl.haxx.se'
description = 'libcurl is a free and easy-to-use client-side URL transfer library'
toolchain = {'name': 'dummy', 'version': ''}
sources = [SOURCELOWER_TAR_GZ]
source_urls = ['http://curl.haxx.se/download/']
osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
sanity_check_paths = {
'files': ['bin/curl', 'lib/libcurl.a', 'lib/libcurl.%s' % SHLIB_EXT],
'dirs': ['lib/pkgconfig'],
}
moduleclass = 'tools'

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@ -0,0 +1,39 @@
easyblock = 'EB_EasyBuildMeta'
name = 'EasyBuild'
version = '3.1.1'
versionsuffix = 'test-python'
homepage = 'http://hpcugent.github.com/easybuild/'
description = """EasyBuild is a software build and installation framework
written in Python that allows you to install software in a structured,
repeatable and robust way."""
toolchain = {'name': 'dummy', 'version': 'dummy'}
source_urls = [
# vsc-install
'https://pypi.python.org/packages/ef/c7/640c6d791ba452321c0d1371b6626486bb495e0645bb896d33c78a09f810',
# vsc-base
'https://pypi.python.org/packages/da/90/ee40b1a6a5bfed24139042c737500a9b45db0373a6735e76481fc860fe37',
# easybuild-framework
'https://pypi.python.org/packages/f2/19/1c79b1ad24f0004e9507f12d4222367611f42ac479abd6315a50a23c52f5',
# easybuild-easyblocks
'https://pypi.python.org/packages/87/aa/2a19f05c78dd2550f7bd42ef0964b9c51c5626c1e715c2ee0a4f778780b8',
# easybuild-easyconfigs
'https://pypi.python.org/packages/e6/68/5e977f549bf04b8cd87cdc5179d8b36c1eb971cfe3c43f98053f2dbe9c64',
]
# order matters a lot, to avoid having dependencies auto-resolved (--no-deps easy_install option doesn't work?)
sources = [
'vsc-install-0.10.25.tar.gz',
'vsc-base-2.5.7.tar.gz',
'easybuild-framework-%(version)s.tar.gz',
'easybuild-easyblocks-%(version)s.tar.gz',
'easybuild-easyconfigs-%(version)s.tar.gz',
]
# EasyBuild is a (set of) Python packages, so it depends on Python
# usually, we want to use the system Python, so no actual Python dependency is listed
allow_system_deps = [('Python', SYS_PYTHON_VERSION)]
moduleclass = 'tools'

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@ -0,0 +1,39 @@
easyblock = 'EB_EasyBuildMeta'
name = 'EasyBuild'
version = '3.1.1'
versionsuffix = '-test-python2'
homepage = 'http://hpcugent.github.com/easybuild/'
description = """EasyBuild is a software build and installation framework
written in Python that allows you to install software in a structured,
repeatable and robust way."""
toolchain = {'name': 'dummy', 'version': 'dummy'}
source_urls = [
# vsc-install
'https://pypi.python.org/packages/ef/c7/640c6d791ba452321c0d1371b6626486bb495e0645bb896d33c78a09f810',
# vsc-base
'https://pypi.python.org/packages/da/90/ee40b1a6a5bfed24139042c737500a9b45db0373a6735e76481fc860fe37',
# easybuild-framework
'https://pypi.python.org/packages/f2/19/1c79b1ad24f0004e9507f12d4222367611f42ac479abd6315a50a23c52f5',
# easybuild-easyblocks
'https://pypi.python.org/packages/87/aa/2a19f05c78dd2550f7bd42ef0964b9c51c5626c1e715c2ee0a4f778780b8',
# easybuild-easyconfigs
'https://pypi.python.org/packages/e6/68/5e977f549bf04b8cd87cdc5179d8b36c1eb971cfe3c43f98053f2dbe9c64',
]
# order matters a lot, to avoid having dependencies auto-resolved (--no-deps easy_install option doesn't work?)
sources = [
'vsc-install-0.10.25.tar.gz',
'vsc-base-2.5.7.tar.gz',
'easybuild-framework-%(version)s.tar.gz',
'easybuild-easyblocks-%(version)s.tar.gz',
'easybuild-easyconfigs-%(version)s.tar.gz',
]
# EasyBuild is a (set of) Python packages, so it depends on Python
# usually, we want to use the system Python, so no actual Python dependency is listed
allow_system_deps = [('Python', SYS_PYTHON_VERSION)]
moduleclass = 'tools'

13
e/Eigen/Eigen-3.2.9.eb Normal file
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@ -0,0 +1,13 @@
name = 'Eigen'
version = '3.2.9'
homepage = 'http://eigen.tuxfamily.org/index.php?title=Main_Page'
description = """Eigen is a C++ template library for linear algebra:
matrices, vectors, numerical solvers, and related algorithms."""
toolchain = {'name': 'dummy', 'version': ''}
source_urls = ['http://bitbucket.org/%(namelower)s/%(namelower)s/get']
sources = ['%(version)s.tar.bz2']
moduleclass = 'math'

14
g/GEOS/GEOS-3.5.0.eb Normal file
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@ -0,0 +1,14 @@
easyblock = 'ConfigureMake'
name = 'GEOS'
version = '3.5.0'
homepage = 'http://trac.osgeo.org/geos'
description = """GEOS (Geometry Engine - Open Source) is a C++ port of the Java Topology Suite (JTS)"""
source_urls = [ 'http://download.osgeo.org/geos/' ]
sources = [SOURCELOWER_TAR_BZ2]
toolchain = {'name': 'dummy', 'version': ''}
moduleclass = 'math'

20
g/GNU/GNU-6.3.0-2.27.eb Normal file
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@ -0,0 +1,20 @@
easyblock = 'Toolchain'
name = 'GNU'
gccver = '6.3.0'
binutilsver = '2.27'
version = '%s-%s' % (gccver, binutilsver)
homepage = 'http://www.gnu.org/software/'
description = "Compiler-only toolchain with GCC and binutils."
toolchain = {'name': 'dummy', 'version': 'dummy'}
dependencies = [
# GCC built on top of (dummy-built) binutils
('GCC', gccver, '-%s' % binutilsver),
# binutils built on top of GCC, which was built on top of (dummy-built) binutils
('binutils', binutilsver, '', ('GCCcore', '%s' % gccver)),
]
moduleclass = 'toolchain'

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@ -12,7 +12,7 @@ toolchainopts = {'openmp': True, 'usempi': True}
source_urls = ['ftp://ftp.gromacs.org/pub/gromacs/'] source_urls = ['ftp://ftp.gromacs.org/pub/gromacs/']
sources = [SOURCELOWER_TAR_GZ] sources = [SOURCELOWER_TAR_GZ]
preconfigopts = 'plumed patch -p -e gromacs-5.1.4 --shared &&' preconfigopts = 'plumed patch -p -e gromacs-5.1.4 &&'
configopts = ' -DGMX_GPU=OFF -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF -DGMX_SIMD=AVX2_256 -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON' configopts = ' -DGMX_GPU=OFF -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF -DGMX_SIMD=AVX2_256 -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON'

37
g/git/git-2.12.0.eb Normal file
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easyblock = 'ConfigureMake'
name = 'git'
version = '2.12.0'
homepage = 'http://git-scm.com/'
description = """Git is a free and open source distributed version control system designed
to handle everything from small to very large projects with speed and efficiency."""
toolchain = {'name': 'dummy', 'version': ''}
source_urls = ['https://www.kernel.org/pub/software/scm/git/']
sources = ['%(name)s-%(version)s.tar.gz']
builddependencies = [
('Autoconf', '2.69')
]
dependencies = [
('cURL', '7.53.1'),
('expat', '2.1.0'),
('gettext','0.19.8'),
('Perl', '5.20.2', '-bare'),
]
preconfigopts = 'make configure && '
# Work around git build system bug. If LIBS contains -lpthread, then configure
# will not append -lpthread to LDFLAGS, but Makefile ignores LIBS.
configopts = "--with-perl=${EBROOTPERL}/bin/perl --enable-pthreads='-lpthread'"
sanity_check_paths = {
'files': ['bin/git'],
'dirs': [],
}
moduleclass = 'tools'

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@ -0,0 +1,32 @@
easyblock = 'MakeCp'
name = 'LSMS'
version = '3_rev237'
homepage = 'https://asc.llnl.gov/CORAL-benchmarks/#lsms'
description = "LSMS benchmark, part of CORAL suite"
toolchain = {'name': 'foss', 'version': '2015g' }
source_urls = ['https://asc.llnl.gov/CORAL-benchmarks/Science/']
sources = ['%(name)s_%(version)s.tar.bz2']
checksums = ['8c864c9223b93488663815557e61cd0b']
patches = ['LSMS-Makefiles.patch']
#files_to_copy = ['bin/lsms', 'bin/wl-lsms']
files_to_copy = ['bin']
buildopts = '-j 1'
dependencies = [
('HDF5', '1.8.16'),
]
sanity_check_paths = {
'files': ['bin/lsms', 'bin/wl-lsms'],
'dirs': [],
}
moduleclass = 'tools'

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@ -0,0 +1,31 @@
easyblock = 'MakeCp'
name = 'LSMS'
version = '3_rev237'
homepage = 'https://asc.llnl.gov/CORAL-benchmarks/#lsms'
description = "LSMS benchmark, part of CORAL suite"
toolchain = {'name': 'foss', 'version': '2016a' }
source_urls = ['https://asc.llnl.gov/CORAL-benchmarks/Science/']
sources = ['%(name)s_%(version)s.tar.bz2']
checksums = ['8c864c9223b93488663815557e61cd0b']
patches = ['LSMS-Makefiles.patch']
files_to_copy = ['bin']
buildopts = '-j 1'
dependencies = [
('HDF5', '1.8.16'),
]
sanity_check_paths = {
'files': ['bin/lsms', 'bin/wl-lsms'],
'dirs': [],
}
moduleclass = 'tools'

106
l/LSMS/LSMS-Makefiles.patch Normal file
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@ -0,0 +1,106 @@
--- LSMS_3_rev237/CBLAS/Makefile 2012-02-09 20:17:00.000000000 +0100
+++ LSMS_3_rev237_working/CBLAS/Makefile 2017-03-09 15:44:39.524649760 +0100
@@ -1,6 +1,29 @@
dlvl = ./.
include $(dlvl)/Makefile.in
-include ../architecture.h
+
+# export USE_GPTL=1
+export USE_OPENMP=1
+
+export ADD_LIBS += -L$(TOP_DIR)/lua/lib -L$(TOP_DIR)/CBLAS/lib/ -lcblas_LINUX -lmpi -lmpi_cxx -lhdf5 -lgfortran -lopenblas $(FPMPI_POST_LINK_OPTS)
+
+export INC_PATH += -I $(TOP_DIR)/CBLAS/include -I $(TOP_DIR)/lua/include
+
+export ADDITIONAL_TARGETS = CBLAS_target
+
+export BOOST_ROOT=$(TOP_DIR)
+
+
+ifdef USE_OPENMP
+ export CXX += -g -std=c++11 -I$(BOOST_ROOT) -fopenmp
+ #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI -fopenmp
+ #export F77=ftn -fopenmp
+ export F77 += -fopenmp
+else
+ export CXX += -std=c++11 -I$(BOOST_ROOT)
+ #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI
+ #export F77=ftn
+endif
+export LUACXX = $(CXX)
all: alllib alltst
--- LSMS_3_rev237/src/Test/buildKKRMatrixTest/Makefile 2012-02-15 19:41:17.000000000 +0100
+++ LSMS_3_rev237_working/src/Test/buildKKRMatrixTest/Makefile 2017-03-09 15:47:04.088863802 +0100
@@ -3,7 +3,29 @@
export INC_PATH =
export LIBS :=
-include $(TOP_DIR)/architecture.h
+# export USE_GPTL=1
+export USE_OPENMP=1
+
+export ADD_LIBS += -L$(TOP_DIR)/lua/lib -L$(TOP_DIR)/CBLAS/lib/ -lcblas_LINUX -lmpi -lmpi_cxx -lhdf5 -lgfortran -lopenblas $(FPMPI_POST_LINK_OPTS)
+
+export INC_PATH += -I $(TOP_DIR)/CBLAS/include -I $(TOP_DIR)/lua/include
+
+export ADDITIONAL_TARGETS = CBLAS_target
+
+export BOOST_ROOT=$(TOP_DIR)
+
+
+ifdef USE_OPENMP
+ export CXX += -g -std=c++11 -I$(BOOST_ROOT) -fopenmp
+ #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI -fopenmp
+ #export F77=ftn -fopenmp
+ export F77 += -fopenmp
+else
+ export CXX += -std=c++11 -I$(BOOST_ROOT)
+ #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI
+ #export F77=ftn
+endif
+export LUACXX = $(CXX)
export INC_PATH += -I $(TOP_DIR)/include -I $(TOP_DIR)/src
export MISC = $(TOP_DIR)/src/Misc
--- LSMS_3_rev237/Makefile 2017-03-09 15:47:50.699882415 +0100
+++ LSMS_3_rev237_working/Makefile 2017-03-09 14:58:44.845436772 +0100
@@ -1,10 +1,35 @@
export TOP_DIR = $(shell pwd)
-export INC_PATH =
# export LIBS := -L$(TOP_DIR)/lua/lib -llua $(TOP_DIR)/mjson/mjson.a
export LIBS := $(TOP_DIR)/lua/lib/liblua.a $(TOP_DIR)/mjson/mjson.a
-include architecture.h
+export CC = gcc
+export CXX = g++
+export F77 = gfortran
+
+# export USE_GPTL=1
+export USE_OPENMP=1
+
+export ADD_LIBS += -L$(TOP_DIR)/lua/lib -L$(TOP_DIR)/CBLAS/lib/ -lcblas_LINUX -lmpi -lmpi_cxx -lhdf5 -lgfortran -lopenblas $(FPMPI_POST_LINK_OPTS)
+
+export INC_PATH += -I $(TOP_DIR)/CBLAS/include -I $(TOP_DIR)/lua/include
+
+export ADDITIONAL_TARGETS = CBLAS_target
+
+export BOOST_ROOT=$(TOP_DIR)
+
+
+ifdef USE_OPENMP
+ export CXX += -g -std=c++11 -I$(BOOST_ROOT) -fopenmp
+ #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI -fopenmp
+ #export F77=ftn -fopenmp
+ export F77 += -fopenmp
+else
+ export CXX += -std=c++11 -I$(BOOST_ROOT)
+ #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI
+ #export F77=ftn
+endif
+export LUACXX = $(CXX)
all: liblua $(ADDITIONAL_TARGETS) libmjson LSMS

28
l/Lmod/Lmod-7.3.28.eb Normal file
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@ -0,0 +1,28 @@
easyblock = 'ConfigureMake'
name = "Lmod"
version = "7.3.28"
homepage = "http://sourceforge.net/projects/lmod/"
description = """Lmod is a Lua based module system. Modules allow for dynamic modification
of a user's environment under Unix systems. See www.tacc.utexas.edu/tacc-projects/lmod
for a complete description. Lmod is a new implementation that easily handles the MODULEPATH
Hierarchical problem. It is drop-in replacement for TCL/C modules and reads TCL modulefiles directly."""
toolchain = {'name': 'dummy', 'version': ''}
sources = ['%(version)s.tar.gz']
source_urls = [
'https://github.com/TACC/Lmod/archive',
'http://sourceforge.net/projects/lmod/files/',
'http://sourceforge.net/projects/lmod/files/Testing'
]
dependencies = [("Lua", "5.1.4-8")]
sanity_check_paths = {
'files': ["lmod/%(version)s/libexec/lmod", "lmod/%(version)s/init/profile"],
'dirs': []
}
moduleclass = "tools"

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@ -0,0 +1,24 @@
easyblock = 'ConfigureMake'
name = 'libGLU'
version = '9.0.0'
homepage = 'ftp://ftp.freedesktop.org/pub/mesa/glu/'
description = """The OpenGL Utility Library (GLU) is a computer graphics library for OpenGL. """
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'pic': True}
source_urls = ['ftp://ftp.freedesktop.org/pub/mesa/glu/']
sources = ['glu-%(version)s.tar.bz2']
dependencies = [
('Mesa', '11.1.2'),
]
sanity_check_paths = {
'files': ['lib/libGLU.so.1'],
'dirs': [],
}
moduleclass = 'vis'

24
m/METIS/METIS-5.1.0.eb Normal file
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@ -0,0 +1,24 @@
name = 'METIS'
version = '5.1.0'
homepage = 'http://glaros.dtc.umn.edu/gkhome/metis/metis/overview'
description = """METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes,
and producing fill reducing orderings for sparse matrices. The algorithms implemented in METIS are based on the
multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes."""
toolchain = {'name': 'dummy', 'version': ''}
toolchainopts = {'optarch': True, 'pic': True}
sources = [SOURCELOWER_TAR_GZ]
source_urls = [
'http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis',
'http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis/OLD',
]
builddependencies = [
('CMake', '3.7.2')
]
configopts = ['', 'shared=1']
moduleclass = 'math'

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@ -0,0 +1,28 @@
easyblock = 'ConfigureMake'
name = 'MPFR'
version = '3.1.4'
homepage = 'http://www.mpfr.org'
description = """The MPFR library is a C library for multiple-precision
floating-point computations with correct rounding."""
toolchain = {'name': 'intel', 'version': '2017a'}
source_urls = ['http://www.mpfr.org/mpfr-%(version)s/']
sources = [SOURCELOWER_TAR_BZ2]
patches = ['MPFR_ictce_remove-deprecated-mp.patch']
dependencies = [
('GMP', '6.1.1', '' , True)
]
runtest = 'check'
sanity_check_paths = {
'files': ['lib/libmpfr.%s' % SHLIB_EXT, 'include/mpfr.h'],
'dirs': []
}
moduleclass = 'math'

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@ -0,0 +1,68 @@
easyblock = 'ConfigureMake'
name = 'Mesa'
version = '11.1.2'
homepage = 'http://www.mesa3d.org/'
description = """Mesa is an open-source implementation of the OpenGL specification -
a system for rendering interactive 3D graphics."""
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'optarch': True}
sources = [SOURCELOWER_TAR_GZ]
source_urls = [
'ftp://ftp.freedesktop.org/pub/mesa/%(version)s',
'ftp://ftp.freedesktop.org/pub/mesa/older-versions/%(version_major)s.x/%(version)s',
]
builddependencies = [
('flex', '2.6.0'),
('Bison', '3.0.4'),
('Autotools', '20150215'),
('pkg-config', '0.29'),
('glproto', '1.4.17'),
('kbproto', '1.0.7'),
('libpthread-stubs', '0.3'),
('xextproto', '7.3.0'),
('xproto', '7.0.28'),
('makedepend', '1.0.5'),
]
dependencies = [
('libxml2', '2.9.3'),
('libdrm', '2.4.67'),
('libX11', '1.6.3',),
('libXext', '1.3.3'),
('libXfixes', '5.0.1'),
('libXdamage', '1.1.4'),
('libXfont', '1.5.1'),
('LLVM', '3.7.1'),
('eudev', '3.1.5'),
]
# Use the os provided libudev or the EB provided eudev
#osdependencies = ['libudev']
# GLU is not part anymore of Mesa package!
configopts = " --disable-osmesa --enable-gallium-osmesa --enable-gallium-llvm --enable-glx --disable-dri"
configopts += " --enable-xlib-glx --disable-driglx-direct --with-gallium-drivers='swrast' --disable-egl"
configopts += " --with-osmesa-bits=32 --enable-texture-float "
# package-config files for os dependencies are in an os specific place
#preconfigopts = 'libtoolize && PKG_CONFIG_PATH="$PKG_CONFIG_PATH:/usr/lib64/pkgconfig/:/usr/share/pkgconfig" '
preconfigopts = ' libtoolize && '
prebuildopts = 'env CPATH="$EBROOTLIBDRM/include/libdrm:$CPATH" '
sanity_check_paths = {
'files': ['lib/libGL.%s' % SHLIB_EXT, 'lib/libOSMesa.%s' % SHLIB_EXT, 'lib/libGLESv1_CM.%s' % SHLIB_EXT,
'lib/libGLESv2.%s' %SHLIB_EXT, 'include/GL/glext.h', 'include/GL/gl_mangle.h', 'include/GL/glx.h',
'include/GL/osmesa.h', 'include/GL/wglext.h', 'include/GL/gl.h', 'include/GL/glxext.h',
'include/GL/glx_mangle.h', 'include/GLES/gl.h', 'include/GLES2/gl2.h', 'include/GLES3/gl3.h'],
'dirs': []
}
maxparallel = 1
moduleclass = 'vis'

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@ -0,0 +1,39 @@
easyblock = "PackedBinary"
name = "ORCA"
version = '4_0_0-linux_x86-64'
homepage = 'http://cec.mpg.de/forum/'
description = """ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry
with specific emphasis on spectroscopic properties of open-shell molecules.
It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single-
and multireference correlated ab initio methods.
It can also treat environmental and relativistic effects."""
toolchain = {'name': 'dummy', 'version': ''}
sources = ['%%(namelower)s_%s_%s.tbz' % (version.split('-')[0], '-'.join(version.split('-')[1:]))]
# ORCA 4.0.0 is compiled only against OpenMPI 2.0.2 for Linux
dependencies = [
('OpenMPI', '2.0.2', '-GCC-6.3.0-2.27')
]
sanity_check_paths = {
'files': ['orca_%s%s' % (x, y) for x in ['anoint', 'casscf', 'cis', 'cleanup', 'cpscf',
'eprnmr', 'gtoint', 'mdci', 'mp2', 'mrci', 'pc',
'rocis', 'scf', 'scfgrad', 'soc']
for y in ["", "_mpi"]] +
['orca_%s' % x for x in ['2mkl', 'asa', 'chelpg', 'ciprep', 'eca', 'ecplib',
'euler', 'fci', 'fitpes', 'gstep', 'loc', 'mapspc',
'md', 'mergefrag', 'ndoint', 'numfreq', 'plot',
'pltvib', 'pop', 'rel', 'vib', 'vpot']],
'dirs': [],
}
modextravars = {
"SLURM_CPU_BIND" : "none",
"RSH_COMMAND" : "ssh -x",
}
moduleclass = 'chem'

View File

@ -0,0 +1,291 @@
# This patch removes all need for the ThirdParty files of OpenFOAM:
# we use EB dependencies for everything. It adjusts the paths, variables, etc
# We also let the install dir, compiler, etc be set by EB.
# Lastly, we also fix a small compile issue in 'ptscotchDecomp.C'
# Ward Poelmans <wpoely86@gmail.com>
diff -ur OpenFOAM-4.1.orig/applications/utilities/mesh/manipulation/setSet/Allwmake OpenFOAM-4.1/applications/utilities/mesh/manipulation/setSet/Allwmake
--- OpenFOAM-4.1.orig/applications/utilities/mesh/manipulation/setSet/Allwmake 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/applications/utilities/mesh/manipulation/setSet/Allwmake 2016-09-02 15:44:36.305512075 +0200
@@ -9,11 +9,11 @@
#
# use readline if available
#
-if [ -f /usr/include/readline/readline.h ]
+if [ -f $EBROOTLIBREADLINE/include/readline/readline.h ]
then
echo "Found <readline/readline.h> -- enabling readline support."
export COMP_FLAGS="-DHAS_READLINE"
- export LINK_FLAGS="-lreadline"
+ export LINK_FLAGS="-L$EBROOTLIBREADLINE/lib -lreadline -L$EBROOTNCURSES -lncurses"
fi
wmake
diff -ur OpenFOAM-4.1.orig/applications/utilities/postProcessing/graphics/PVReaders/Allwmake OpenFOAM-4.1/applications/utilities/postProcessing/graphics/PVReaders/Allwmake
--- OpenFOAM-4.1.orig/applications/utilities/postProcessing/graphics/PVReaders/Allwmake 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/applications/utilities/postProcessing/graphics/PVReaders/Allwmake 2016-09-02 15:44:36.305512075 +0200
@@ -16,7 +16,7 @@
}
# ensure CMake gets the correct C++ compiler
- [ -n "$WM_CXX" ] && export CXX="$WM_CXX"
+# [ -n "$WM_CXX" ] && export CXX="$WM_CXX"
wmake $targetType vtkPVReaders
PVblockMeshReader/Allwmake $*
diff -ur OpenFOAM-4.1.orig/etc/bashrc OpenFOAM-4.1/etc/bashrc
--- OpenFOAM-4.1.orig/etc/bashrc 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/etc/bashrc 2016-09-02 15:43:37.773220097 +0200
@@ -42,9 +42,8 @@
#
# Please set to the appropriate path if the default is not correct.
#
-[ $BASH_SOURCE ] && \
-export FOAM_INST_DIR=${BASH_SOURCE%/*/*/*} || \
-export FOAM_INST_DIR=$HOME/$WM_PROJECT
+# For Easybuild: set by the module
+#
# export FOAM_INST_DIR=~$WM_PROJECT
# export FOAM_INST_DIR=/opt/$WM_PROJECT
# export FOAM_INST_DIR=/usr/local/$WM_PROJECT
diff -ur OpenFOAM-4.1.orig/etc/config.sh/CGAL OpenFOAM-4.1/etc/config.sh/CGAL
--- OpenFOAM-4.1.orig/etc/config.sh/CGAL 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/etc/config.sh/CGAL 2016-09-02 15:43:37.773220097 +0200
@@ -36,37 +36,7 @@
#
#------------------------------------------------------------------------------
-boost_version=boost-system
-cgal_version=cgal-system
-#cgal_version=CGAL-4.8
-
-if [ -z "$SOURCE_CGAL_VERSIONS_ONLY" ]
-then
-
- common_path=$WM_THIRD_PARTY_DIR/platforms/$WM_ARCH$WM_COMPILER
-
- export BOOST_ARCH_PATH=$common_path/$boost_version
- export CGAL_ARCH_PATH=$common_path/$cgal_version
-
- if [ "$FOAM_VERBOSE" -a "$PS1" ]
- then
- echo "Using CGAL and boost" 1>&2
- echo " $cgal_version at $CGAL_ARCH_PATH" 1>&2
- echo " $boost_version at $BOOST_ARCH_PATH" 1>&2
- fi
-
- if [ -d "$CGAL_ARCH_PATH" -a "$cgal_version" != "cgal-system" ]
- then
- _foamAddLib $CGAL_ARCH_PATH/lib
- fi
-
- if [ -d "$BOOST_ARCH_PATH" -a "$boost_version" != "boost-system" ]
- then
- _foamAddLib $BOOST_ARCH_PATH/lib
- fi
-
- unset boost_version cgal_version common_path
-
-fi
+export CGAL_ARCH_PATH=$EBROOTCGAL
+export BOOST_ARCH_PATH=$EBROOTBOOST
#------------------------------------------------------------------------------
diff -ur OpenFOAM-4.1.orig/etc/config.sh/gperftools OpenFOAM-4.1/etc/config.sh/gperftools
--- OpenFOAM-4.1.orig/etc/config.sh/gperftools 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/etc/config.sh/gperftools 2016-09-02 15:43:37.773220097 +0200
@@ -29,13 +29,7 @@
#
#------------------------------------------------------------------------------
-version=svn
-gperftools_install=$WM_THIRD_PARTY_DIR/platforms/$WM_ARCH$WM_COMPILER
-
-GPERFTOOLS_VERSION=gperftools-$version
-GPERFTOOLS_ARCH_PATH=$gperftools_install/$GPERFTOOLS_VERSION
-
-export PATH=$GPERFTOOLS_ARCH_PATH/bin:$PATH
-export LD_LIBRARY_PATH=$GPERFTOOLS_ARCH_PATH/lib:$LD_LIBRARY_PATH
+GPERFTOOLS_VERSION=gperftools-$EBVERSIONGPERFTOOLS
+GPERFTOOLS_ARCH_PATH=$EBROOTGPERFTOOLS
#------------------------------------------------------------------------------
diff -ur OpenFOAM-4.1.orig/etc/config.sh/metis OpenFOAM-4.1/etc/config.sh/metis
--- OpenFOAM-4.1.orig/etc/config.sh/metis 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/etc/config.sh/metis 2016-09-02 15:43:37.773220097 +0200
@@ -34,7 +34,7 @@
#
#------------------------------------------------------------------------------
-export METIS_VERSION=metis-5.1.0
-export METIS_ARCH_PATH=$WM_THIRD_PARTY_DIR/platforms/$WM_ARCH$WM_COMPILER$WM_PRECISION_OPTION$WM_LABEL_OPTION/$METIS_VERSION
+export METIS_VERSION=metis-$EBVERSIONMETIS
+export METIS_ARCH_PATH=$EBROOTMETIS
#------------------------------------------------------------------------------
diff -ur OpenFOAM-4.1.orig/etc/config.sh/mpi OpenFOAM-4.1/etc/config.sh/mpi
--- OpenFOAM-4.1.orig/etc/config.sh/mpi 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/etc/config.sh/mpi 2016-09-02 15:43:37.773220097 +0200
@@ -243,6 +243,9 @@
_foamAddPath $MPI_ARCH_PATH/bin64
_foamAddLib $MPI_ARCH_PATH/lib64
;;
+EASYBUILDMPI)
+ export FOAM_MPI=mpi
+ ;;
*)
export FOAM_MPI=dummy
;;
diff -ur OpenFOAM-4.1.orig/etc/config.sh/paraview OpenFOAM-4.1/etc/config.sh/paraview
--- OpenFOAM-4.1.orig/etc/config.sh/paraview 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/etc/config.sh/paraview 2016-09-02 15:43:37.773220097 +0200
@@ -41,21 +41,6 @@
) \
&& PATH="$cleaned"
-# Determine the cmake to be used
-unset CMAKE_HOME
-for cmake in cmake-3.2.1 cmake-2.8.12.1 cmake-2.8.8 cmake-2.8.4 cmake-2.8.3 \
- cmake-2.8.1
-do
- cmake=$WM_THIRD_PARTY_DIR/platforms/$WM_ARCH$WM_COMPILER/$cmake
- if [ -r $cmake ]
- then
- export CMAKE_HOME=$cmake
- export CMAKE_ROOT=$cmake
- export PATH=$CMAKE_HOME/bin:$PATH
- break
- fi
-done
-
#- ParaView version, automatically determine major version
#export ParaView_VERSION=3.12.0
@@ -64,7 +49,7 @@
#export ParaView_VERSION=4.3.1
#export ParaView_VERSION=4.4.0
#export ParaView_VERSION=5.0.0
-export ParaView_VERSION=5.0.1
+export ParaView_VERSION=$EBVERSIONPARAVIEW
export ParaView_MAJOR=detect
@@ -105,21 +90,15 @@
paraviewInstDir=$WM_THIRD_PARTY_DIR/ParaView-$ParaView_VERSION
paraviewArchName=ParaView-$ParaView_VERSION
-export ParaView_DIR=$WM_THIRD_PARTY_DIR/platforms/$WM_ARCH$WM_COMPILER/$paraviewArchName
+export ParaView_DIR=$EBROOTPARAVIEW
# Set paths if binaries or source are present
if [ -r $ParaView_DIR -o -r $paraviewInstDir ]
then
export ParaView_INCLUDE_DIR=$ParaView_DIR/include/paraview-$ParaView_MAJOR
- if [ ! -d $ParaView_INCLUDE_DIR -a -d $ParaView_DIR/include/paraview-3.0 ]
- then
- export ParaView_INCLUDE_DIR=$ParaView_DIR/include/paraview-3.0
- fi
ParaView_LIB_DIR=$ParaView_DIR/lib/paraview-$ParaView_MAJOR
- export PATH=$ParaView_DIR/bin:$PATH
- export LD_LIBRARY_PATH=$ParaView_LIB_DIR:$LD_LIBRARY_PATH
export PV_PLUGIN_PATH=$FOAM_LIBBIN/paraview-$ParaView_MAJOR
if [ "$FOAM_VERBOSE" -a "$PS1" ]
@@ -131,17 +110,6 @@
echo " PV_PLUGIN_PATH : $PV_PLUGIN_PATH"
fi
- # Add in python libraries if required
- paraviewPython=$ParaView_DIR/Utilities/VTKPythonWrapping
- if [ -r $paraviewPython ]
- then
- if [ "$PYTHONPATH" ]
- then
- export PYTHONPATH=$PYTHONPATH:$paraviewPython:$ParaView_LIB_DIR
- else
- export PYTHONPATH=$paraviewPython:$ParaView_LIB_DIR
- fi
- fi
else
unset PV_PLUGIN_PATH
fi
diff -ur OpenFOAM-4.1.orig/etc/config.sh/scotch OpenFOAM-4.1/etc/config.sh/scotch
--- OpenFOAM-4.1.orig/etc/config.sh/scotch 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/etc/config.sh/scotch 2016-09-02 15:43:37.773220097 +0200
@@ -37,7 +37,7 @@
#
#------------------------------------------------------------------------------
-export SCOTCH_VERSION=scotch_6.0.3
-export SCOTCH_ARCH_PATH=$WM_THIRD_PARTY_DIR/platforms/$WM_ARCH$WM_COMPILER$WM_PRECISION_OPTION$WM_LABEL_OPTION/$SCOTCH_VERSION
+export SCOTCH_VERSION=scotch_$EBVERSIONSCOTCH
+export SCOTCH_ARCH_PATH=$EBROOTSCOTCH
#------------------------------------------------------------------------------
diff -ur OpenFOAM-4.1.orig/etc/config.sh/settings OpenFOAM-4.1/etc/config.sh/settings
--- OpenFOAM-4.1.orig/etc/config.sh/settings 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/etc/config.sh/settings 2016-09-02 15:43:37.773220097 +0200
@@ -56,11 +56,11 @@
64)
WM_ARCH=linux64
export WM_COMPILER_LIB_ARCH=64
- export WM_CC='gcc'
- export WM_CXX='g++'
- export WM_CFLAGS='-m64 -fPIC'
- export WM_CXXFLAGS='-m64 -fPIC -std=c++0x'
- export WM_LDFLAGS='-m64'
+ export WM_CC=$CC
+ export WM_CXX=$CXX
+ export WM_CFLAGS=$CFLAGS
+ export WM_CXXFLAGS=$CXXFLAGS
+ export WM_LDFLAGS=$LDFLAGS
;;
*)
echo "Unknown WM_ARCH_OPTION '$WM_ARCH_OPTION', should be 32 or 64"\
diff -ur OpenFOAM-4.1.orig/src/parallel/decompose/ptscotchDecomp/Make/options OpenFOAM-4.1/src/parallel/decompose/ptscotchDecomp/Make/options
--- OpenFOAM-4.1.orig/src/parallel/decompose/ptscotchDecomp/Make/options 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/src/parallel/decompose/ptscotchDecomp/Make/options 2016-09-02 15:44:36.305512075 +0200
@@ -3,10 +3,8 @@
EXE_INC = \
$(PFLAGS) $(PINC) \
- -I$(SCOTCH_ROOT)/include \
-I$(SCOTCH_ARCH_PATH)/include/$(FOAM_MPI) \
- -I/usr/include/scotch \
-I../decompositionMethods/lnInclude
LIB_LIBS = \
- -L$(SCOTCH_ROOT)/lib -L$(FOAM_EXT_LIBBIN)/$(FOAM_MPI) -lptscotch -lptscotcherrexit -lscotch ${LINK_FLAGS} -lrt
+ -L$(SCOTCH_ARCH_PATH)/lib -L$(FOAM_EXT_LIBBIN)/$(FOAM_MPI) -lptscotch -lptscotcherrexit -lscotch ${LINK_FLAGS} -lrt
diff -ur OpenFOAM-4.1.orig/src/parallel/decompose/ptscotchDecomp/ptscotchDecomp.C OpenFOAM-4.1/src/parallel/decompose/ptscotchDecomp/ptscotchDecomp.C
--- OpenFOAM-4.1.orig/src/parallel/decompose/ptscotchDecomp/ptscotchDecomp.C 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/src/parallel/decompose/ptscotchDecomp/ptscotchDecomp.C 2016-09-02 15:45:13.376950242 +0200
@@ -30,10 +30,11 @@
#include "globalIndex.H"
#include "SubField.H"
+#include <mpi.h>
+
extern "C"
{
#include <stdio.h>
- #include <mpi.h>
#include "ptscotch.h"
}
diff -ur OpenFOAM-4.1.orig/src/parallel/decompose/scotchDecomp/Make/options OpenFOAM-4.1/src/parallel/decompose/scotchDecomp/Make/options
--- OpenFOAM-4.1.orig/src/parallel/decompose/scotchDecomp/Make/options 2016-06-24 23:33:52.000000000 +0200
+++ OpenFOAM-4.1/src/parallel/decompose/scotchDecomp/Make/options 2016-09-02 15:44:36.305512075 +0200
@@ -7,10 +7,8 @@
EXE_INC = \
$(PFLAGS) $(PINC) \
- -I$(SCOTCH_ROOT)/include \
-I$(SCOTCH_ARCH_PATH)/include \
- -I/usr/include/scotch \
-I../decompositionMethods/lnInclude
LIB_LIBS = \
- -L$(SCOTCH_ROOT)/lib -L$(FOAM_EXT_LIBBIN) -lscotch -lscotcherrexit -lrt
+ -L$(SCOTCH_ARCH_PATH)/lib -L$(FOAM_EXT_LIBBIN) -lscotch -lscotcherrexit -lrt

View File

@ -0,0 +1,36 @@
name = 'OpenFOAM'
version = '4.1'
homepage = 'http://www.openfoam.com/'
description = """OpenFOAM is a free, open source CFD software package.
OpenFOAM has an extensive range of features to solve anything from complex fluid flows
involving chemical reactions, turbulence and heat transfer,
to solid dynamics and electromagnetics."""
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'cstd': 'c++11'}
source_urls = ['https://github.com/OpenFOAM/OpenFOAM-%(version_major)s.x/archive']
sources = ['version-%(version)s.tar.gz']
checksums = ['318a446c4ae6366c7296b61184acd37c']
patches = ['OpenFOAM-%(version)s-cleanup.patch']
dependencies = [
('libreadline', '6.3'),
('ncurses', '6.0'),
# OpenFOAM requires 64 bit METIS using 32 bit indexes (array indexes)
('METIS', '5.1.0', '', True),
('SCOTCH', '6.0.4'),
('CGAL', '4.8.1'),
('ParaView', '5.1.2', '-mpi'),
]
builddependencies = [
('Bison', '3.0.4'),
('CMake', '3.7.2'),
('flex', '2.6.3', '', ('GCCcore', '6.3.0')),
]
moduleclass = 'cae'

View File

@ -13,11 +13,16 @@ source_urls = ['http://www.open-mpi.org/software/ompi/v%(version_major_minor)s/d
dependencies = [('hwloc', '1.11.2')] dependencies = [('hwloc', '1.11.2')]
builddependencies = [
('Java', '1.8.0_51', '', True)
]
configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs ' configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs '
configopts += '--enable-mpirun-prefix-by-default ' # suppress failure modes in relation to mpirun path configopts += '--enable-mpirun-prefix-by-default ' # suppress failure modes in relation to mpirun path
configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
configopts += '--disable-dlopen ' # statically link component, don't do dynamic loading configopts += '--disable-dlopen ' # statically link component, don't do dynamic loading
configopts += '--with-tm=/opt/pbs/default ' # Enable PBS configopts += '--with-tm=/opt/pbs/default ' # Enable PBS
configopts += '--enable-mpi-java ' # Java support RT#4090
# for PBS Pro 13 # for PBS Pro 13
preconfigopts = 'export LIBS="-ldl" && ' preconfigopts = 'export LIBS="-ldl" && '

View File

@ -0,0 +1,42 @@
easyblock = 'CMakeMake'
name = 'osm2pgsql'
version = '0.92.0'
homepage = 'http://wiki.openstreetmap.org/wiki/Osm2pgsql'
description = "osm2pgsql is a command-line based program that converts OpenStreetMap data to postGIS-enabled PostgreSQL databases"
toolchain = {'name': 'intel', 'version': '2017a' }
source_urls = ['https://github.com/openstreetmap/osm2pgsql/archive/']
sources = ['%(version)s.tar.gz']
checksums = ['1aee8d5fcea0e51662640a886a6818c7']
patches = ['osm2pgsql-%(version)s_fix.patch']
files_to_copy = ['%(builddir)s/osm2pgsql']
configopts = '-DCMAKE_CXX_COMPILER=icpc -DCMAKE_CXX_FLAGS=-std=c++11'
separate_build_dir = True
builddependencies = [
('CMake', '3.7.2', '', True)
]
dependencies = [
('expat', '2.1.0', '', True),
('PROJ_4', '4.9.2', '', True),
('GEOS', '3.5.0', '', True),
('zlib', '1.2.11', '', True),
('Boost', '1.63.0'),
('Lua', '5.1.4-8', '', True)
]
sanity_check_paths = {
'files': ['bin/osm2pgsql'],
'dirs': [],
}
moduleclass = 'tools'

View File

@ -0,0 +1,13 @@
# Set prefix path to include required libraries from easybuild paths
diff -ru osm2pgsql-0.92.0/CMakeLists.txt osm2pgsql-0.92.0_patched/CMakeLists.txt
--- osm2pgsql-0.92.0/CMakeLists.txt 2016-12-16 10:43:19.000000000 +0100
+++ osm2pgsql-0.92.0_patched/CMakeLists.txt 2017-03-13 15:33:11.939403214 +0100
@@ -6,6 +6,8 @@
project(osm2pgsql)
+set(CMAKE_PREFIX_PATH "${CMAKE_PREFIX_PATH};$ENV{EBROOTGEOS};$ENV{EBROOTPROJ_4};$ENV{EBROOTLUA};$ENV{EBROOTZLIB};$ENV{EBROOTBOOST};$ENV{EBROOTEXPATH}")
+
list(APPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
set(DATA_DIR \"${CMAKE_INSTALL_PREFIX}/share/osm2pgsql\")

15
p/PROJ_4/PROJ_4-4.9.2.eb Normal file
View File

@ -0,0 +1,15 @@
name = 'PROJ_4'
version = '4.9.2'
easyblock = 'ConfigureMake'
homepage = 'http://proj.osgeo.org'
description = """PROJ.4 - Cartographic Projections Library originally written by Gerald Evenden then of the USGS.
"""
toolchain = {'name': 'dummy', 'version': ''}
sources = ['%(version)s.tar.gz']
source_urls = ['https://github.com/OSGeo/proj.4/archive/']
moduleclass = 'geo'

View File

@ -0,0 +1,50 @@
easyblock = 'CMakeMake'
name = 'ParaView'
version = '5.1.2'
versionsuffix = '-mpi'
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', '20160819'),
('Mesa', '12.0.2'),
('libGLU', '9.0.0'),
('Qt', '4.8.7'),
('zlib', '1.2.11', '', True),
('HDF5', '1.8.17'),
('Python', '2.7.12'),
]
builddependencies = [('CMake', '3.7.2', '', 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 '
# 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'

View File

@ -0,0 +1,28 @@
easyblock = 'MakeCp'
name = 'QBOX'
version = 'r140b'
homepage = 'https://asc.llnl.gov/CORAL-benchmarks/#qbox'
description = 'QBOX benchmark, part of CORAL suite'
toolchain = {'name': 'foss', 'version': '2016a' }
toolchainopts = {'usempi': True}
source_urls = ['https://asc.llnl.gov/CORAL-benchmarks/Science/']
sources = ['qball_%(version)s.tgz']
checksums = ['3eef50f376b02f9d569e0d6e761847ce']
patches = ['QBOX-%(version)s_fix.patch']
files_to_copy = [(['trunk/src/qb-linux_x86_64_intel'], 'bin')]
start_dir = 'trunk/src'
sanity_check_paths = {
'files': ['bin/qb-linux_x86_64_intel'],
'dirs': [],
}
moduleclass = 'tools'

View File

@ -0,0 +1,40 @@
# MPI_Comm is a typedef struct ompi_communicator_t *MPI_Comm.
# Csys2blacs_handle is called only here and returns a hardcoded zero
# this patch does not alter the behavior
# Martin Golasowski, martin.golasowski@vsb.cz, IT4Innovations 2017
diff -ru qball_r140/trunk/src/Context.C qball_r140_working/trunk/src/Context.C
--- qball_r140/trunk/src/Context.C 2013-04-18 20:31:13.000000000 +0200
+++ qball_r140_working/trunk/src/Context.C 2017-03-14 19:36:35.998218396 +0100
@@ -613,7 +613,7 @@
char order = 'C';
MPI_Comm_size(comm_,&nprocs);
MPI_Comm_rank(comm_,&mype_);
- int bhandle = Csys2blacs_handle(comm_);
+ int bhandle = 0;
ictxt_ = bhandle;
Cblacs_gridinit( &ictxt_, &order, nprow, npcol );
diff -ru qball_r140/trunk/src/Makefile qball_r140_working/trunk/src/Makefile
--- qball_r140/trunk/src/Makefile 2013-07-03 22:10:55.000000000 +0200
+++ qball_r140_working/trunk/src/Makefile 2017-03-14 19:15:26.870687572 +0100
@@ -7,7 +7,19 @@
# If defined, use architecture file set with ARCH variable
ARCH ?= $(ARCHGUESS)
-include $(ARCH).mk
+PLT=LINUX_X86_64_GNU
+FFTWDIR=${EBROOTFFTW}
+FFTWLIB=$(FFTWDIR)/lib/libfftw.a
+SCALAPACK_DIR = ${EBROOTSCALAPACK}
+SCALAPACKLIB = $(SCALAPACK_DIR)/lib/libscalapack.a
+BLASDIR = ${EBROOTOPENBLAS}
+DFLAGS += -DUSE_CSTDIO_LFS -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64
+INCLUDE = -I$(FFTWDIR)/include
+CXXFLAGS= -DUSE_MPI -DSCALAPACK -DADD_ -D$(PLT) $(INCLUDE) $(DFLAGS)
+LD = ${CXX}
+LIBPATH = -L$(FFTWDIR) -L$(BLASDIR) -L$(EBROOTOPENMPI) -L$(SCALAPACK_DIR)/lib
+LIBS = -lscalapack -fopenmp -lopenblas -lgfortran
+LDFLAGS = $(LIBPATH) $(LIBS)
#------------------------------------------------------------------------------
#
TESTEXECS=testMatrix testFTGrid testGridFunction testBasis \

View File

@ -0,0 +1,56 @@
easyblock = 'EB_Qt'
name = 'Qt5'
version = '5.7.0'
homepage = 'http://qt.io/'
description = "Qt is a comprehensive cross-platform C++ application framework."
toolchain = {'name': 'intel', 'version': '2017a'}
source_urls = [
'http://download.qt.io/official_releases/qt/%(version_major_minor)s/%(version)s/single/',
'http://download.qt.io/archive/qt/%(version_major_minor)s/%(version)s/single/'
]
sources = ['qt-everywhere-opensource-src-%(version)s.tar.xz']
builddependencies = [
('fixesproto', '5.0'),
('glproto', '1.4.17'),
('inputproto', '2.3.1'),
('kbproto', '1.0.7'),
('libpthread-stubs', '0.3'),
('pkg-config', '0.29.1'),
('xcb-proto', '1.11', '', True),
('xextproto', '7.3.0'),
('xorg-macros', '1.19.0'),
('xproto', '7.0.28'),
('xtrans', '1.3.5'),
]
dependencies = [
('GLib', '2.48.0'),
('libX11', '1.6.3'),
('libXt', '1.1.5'),
('libXi', '1.7.6'),
('xcb-util', '0.4.0'),
('xcb-util-image', '0.4.0'),
('xcb-util-keysyms', '0.4.0'),
('xcb-util-renderutil', '0.3.9'),
('xcb-util-wm', '0.4.1'),
('libxkbcommon', '0.6.1'),
('libXrender', '0.9.9'),
('fontconfig', '2.11.95'),
('freetype', '2.6.3'),
('libXfixes', '5.0.1'),
('libXcursor', '1.1.14'),
('libXinerama', '1.1.3'),
('libXrandr', '1.5.0'),
('libpng', '1.6.21'),
('libGLU', '9.0.0', '-Mesa-11.2.1'),
]
# qtgamepad needs recent kernel/libevdev (fails on RHEL 6.x)
configopts = '-skip qtgamepad'
moduleclass = 'devel'