mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 15:32:11 +01:00
Anselm ... GNU/6.3.0/2.27
This commit is contained in:
Lukas Krupcik
parent
ead863d434
commit
29a53ee6a2
34
c/CGAL/CGAL-4.8.1-intel-2017a.eb
Normal file
34
c/CGAL/CGAL-4.8.1-intel-2017a.eb
Normal file
@ -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'
|
||||
16
c/CORALbenchmark/CORALbenchmark-1.00-foss-2016a.eb
Normal file
16
c/CORALbenchmark/CORALbenchmark-1.00-foss-2016a.eb
Normal file
@ -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
21
c/cURL/cURL-7.53.1.eb
Normal file
@ -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'
|
||||
39
e/EasyBuild/EasyBuild-3.1.1-test.eb
Normal file
39
e/EasyBuild/EasyBuild-3.1.1-test.eb
Normal file
@ -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'
|
||||
39
e/EasyBuild/EasyBuild-3.1.1-test2.eb
Normal file
39
e/EasyBuild/EasyBuild-3.1.1-test2.eb
Normal file
@ -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
13
e/Eigen/Eigen-3.2.9.eb
Normal file
@ -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
14
g/GEOS/GEOS-3.5.0.eb
Normal file
@ -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
20
g/GNU/GNU-6.3.0-2.27.eb
Normal file
@ -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'
|
||||
@ -12,7 +12,7 @@ toolchainopts = {'openmp': True, 'usempi': True}
|
||||
source_urls = ['ftp://ftp.gromacs.org/pub/gromacs/']
|
||||
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'
|
||||
|
||||
|
||||
37
g/git/git-2.12.0.eb
Normal file
37
g/git/git-2.12.0.eb
Normal file
@ -0,0 +1,37 @@
|
||||
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'
|
||||
32
l/LSMS/LSMS-3_rev237-foss-2015g.eb
Normal file
32
l/LSMS/LSMS-3_rev237-foss-2015g.eb
Normal file
@ -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'
|
||||
31
l/LSMS/LSMS-3_rev237-foss-2016a.eb
Normal file
31
l/LSMS/LSMS-3_rev237-foss-2016a.eb
Normal file
@ -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
106
l/LSMS/LSMS-Makefiles.patch
Normal file
@ -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
28
l/Lmod/Lmod-7.3.28.eb
Normal file
@ -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"
|
||||
24
l/libGLU/libGLU-9.0.0-intel-2017a.eb
Normal file
24
l/libGLU/libGLU-9.0.0-intel-2017a.eb
Normal file
@ -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
24
m/METIS/METIS-5.1.0.eb
Normal file
@ -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'
|
||||
28
m/MPFR/MPFR-3.1.4-intel-2017a.eb
Normal file
28
m/MPFR/MPFR-3.1.4-intel-2017a.eb
Normal file
@ -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'
|
||||
68
m/Mesa/Mesa-11.1.2-intel-2017a.eb
Normal file
68
m/Mesa/Mesa-11.1.2-intel-2017a.eb
Normal file
@ -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'
|
||||
39
o/ORCA/ORCA-4_0_0-linux_x86-64.eb
Normal file
39
o/ORCA/ORCA-4_0_0-linux_x86-64.eb
Normal file
@ -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'
|
||||
291
o/OpenFOAM/OpenFOAM-4.1-cleanup.patch
Normal file
291
o/OpenFOAM/OpenFOAM-4.1-cleanup.patch
Normal 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$(FOAM_EXT_LIBBIN) -lscotch -lscotcherrexit -lrt
|
||||
36
o/OpenFOAM/OpenFOAM-4.1-intel-2017a.eb
Normal file
36
o/OpenFOAM/OpenFOAM-4.1-intel-2017a.eb
Normal file
@ -0,0 +1,36 @@
|
||||
name = 'OpenFOAM'
|
||||
version = '4.1'
|
||||
|
||||
homepage = 'http://www.openfoam.com/'
|
||||
description = """OpenFOAM is a free, open source CFD software package.
|
||||
OpenFOAM has an extensive range of features to solve anything from complex fluid flows
|
||||
involving chemical reactions, turbulence and heat transfer,
|
||||
to solid dynamics and electromagnetics."""
|
||||
|
||||
toolchain = {'name': 'intel', 'version': '2017a'}
|
||||
toolchainopts = {'cstd': 'c++11'}
|
||||
|
||||
source_urls = ['https://github.com/OpenFOAM/OpenFOAM-%(version_major)s.x/archive']
|
||||
sources = ['version-%(version)s.tar.gz']
|
||||
|
||||
checksums = ['318a446c4ae6366c7296b61184acd37c']
|
||||
|
||||
patches = ['OpenFOAM-%(version)s-cleanup.patch']
|
||||
|
||||
dependencies = [
|
||||
('libreadline', '6.3'),
|
||||
('ncurses', '6.0'),
|
||||
# OpenFOAM requires 64 bit METIS using 32 bit indexes (array indexes)
|
||||
('METIS', '5.1.0', '', True),
|
||||
('SCOTCH', '6.0.4'),
|
||||
('CGAL', '4.8.1'),
|
||||
('ParaView', '5.1.2', '-mpi'),
|
||||
]
|
||||
|
||||
builddependencies = [
|
||||
('Bison', '3.0.4'),
|
||||
('CMake', '3.7.2'),
|
||||
('flex', '2.6.3', '', ('GCCcore', '6.3.0')),
|
||||
]
|
||||
|
||||
moduleclass = 'cae'
|
||||
@ -13,11 +13,16 @@ source_urls = ['http://www.open-mpi.org/software/ompi/v%(version_major_minor)s/d
|
||||
|
||||
dependencies = [('hwloc', '1.11.2')]
|
||||
|
||||
builddependencies = [
|
||||
('Java', '1.8.0_51', '', True)
|
||||
]
|
||||
|
||||
configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs '
|
||||
configopts += '--enable-mpirun-prefix-by-default ' # suppress failure modes in relation to mpirun path
|
||||
configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
|
||||
configopts += '--disable-dlopen ' # statically link component, don't do dynamic loading
|
||||
configopts += '--with-tm=/opt/pbs/default ' # Enable PBS
|
||||
configopts += '--enable-mpi-java ' # Java support RT#4090
|
||||
|
||||
# for PBS Pro 13
|
||||
preconfigopts = 'export LIBS="-ldl" && '
|
||||
|
||||
42
o/osm2pgsql/osm2pgsql-0.92.0-intel-2017a.eb
Normal file
42
o/osm2pgsql/osm2pgsql-0.92.0-intel-2017a.eb
Normal 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'
|
||||
13
o/osm2pgsql/osm2pgsql-0.92.0_fix.patch
Normal file
13
o/osm2pgsql/osm2pgsql-0.92.0_fix.patch
Normal 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 \"${CMAKE_INSTALL_PREFIX}/share/osm2pgsql\")
|
||||
15
p/PROJ_4/PROJ_4-4.9.2.eb
Normal file
15
p/PROJ_4/PROJ_4-4.9.2.eb
Normal file
@ -0,0 +1,15 @@
|
||||
name = 'PROJ_4'
|
||||
version = '4.9.2'
|
||||
|
||||
easyblock = 'ConfigureMake'
|
||||
|
||||
homepage = 'http://proj.osgeo.org'
|
||||
description = """PROJ.4 - Cartographic Projections Library originally written by Gerald Evenden then of the USGS.
|
||||
"""
|
||||
|
||||
toolchain = {'name': 'dummy', 'version': ''}
|
||||
|
||||
sources = ['%(version)s.tar.gz']
|
||||
source_urls = ['https://github.com/OSGeo/proj.4/archive/']
|
||||
|
||||
moduleclass = 'geo'
|
||||
50
p/ParaView/ParaView-5.1.2-intel-2017a-mpi.eb
Normal file
50
p/ParaView/ParaView-5.1.2-intel-2017a-mpi.eb
Normal file
@ -0,0 +1,50 @@
|
||||
easyblock = 'CMakeMake'
|
||||
|
||||
name = 'ParaView'
|
||||
version = '5.1.2'
|
||||
versionsuffix = '-mpi'
|
||||
|
||||
homepage = "http://www.paraview.org"
|
||||
description = "ParaView is a scientific parallel visualizer."
|
||||
|
||||
toolchain = {'name': 'intel', 'version': '2017a'}
|
||||
toolchainopts = {'pic': True, 'usempi': True}
|
||||
|
||||
download_suffix = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=all&downloadFile='
|
||||
source_urls = ['http://www.paraview.org/paraview-downloads/%s' % download_suffix]
|
||||
sources = ["ParaView-v%(version)s.tar.gz"]
|
||||
|
||||
dependencies = [
|
||||
('X11', '20160819'),
|
||||
('Mesa', '12.0.2'),
|
||||
('libGLU', '9.0.0'),
|
||||
('Qt', '4.8.7'),
|
||||
('zlib', '1.2.11', '', True),
|
||||
('HDF5', '1.8.17'),
|
||||
('Python', '2.7.12'),
|
||||
]
|
||||
|
||||
builddependencies = [('CMake', '3.7.2', '', True)]
|
||||
|
||||
separate_build_dir = True
|
||||
|
||||
configopts = '-DPARAVIEW_INSTALL_DEVELOPMENT_FILES=ON -DVTK_OPENGL_HAS_OSMESA=ON -DPARAVIEW_USE_MPI=ON '
|
||||
configopts += '-DOPENGL_INCLUDE_DIR=$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'
|
||||
28
q/QBOX/QBOX-r140b-foss-2016a.eb
Normal file
28
q/QBOX/QBOX-r140b-foss-2016a.eb
Normal 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'
|
||||
40
q/QBOX/QBOX-r140b_fix.patch
Normal file
40
q/QBOX/QBOX-r140b_fix.patch
Normal 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 \
|
||||
56
q/Qt5/Qt5-5.7.0-intel-2017a.eb
Normal file
56
q/Qt5/Qt5-5.7.0-intel-2017a.eb
Normal 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'
|
||||
Loading…
x
Reference in New Issue
Block a user