Commit 29a53ee6 authored by Lukáš Krupčík's avatar Lukáš Krupčík
Browse files

Anselm ... GNU/6.3.0/2.27

parent ead863d4
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'
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'
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'
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'
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'
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'
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'
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'
......
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'
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'
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'
--- 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
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"
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'
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'
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'
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'
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']],