diff --git a/c/CGAL/CGAL-4.8.1-intel-2017a.eb b/c/CGAL/CGAL-4.8.1-intel-2017a.eb new file mode 100644 index 00000000..9f940415 --- /dev/null +++ b/c/CGAL/CGAL-4.8.1-intel-2017a.eb @@ -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' diff --git a/c/CORALbenchmark/CORALbenchmark-1.00-foss-2016a.eb b/c/CORALbenchmark/CORALbenchmark-1.00-foss-2016a.eb new file mode 100644 index 00000000..613b4b6f --- /dev/null +++ b/c/CORALbenchmark/CORALbenchmark-1.00-foss-2016a.eb @@ -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' diff --git a/c/cURL/cURL-7.53.1.eb b/c/cURL/cURL-7.53.1.eb new file mode 100644 index 00000000..96a3b1be --- /dev/null +++ b/c/cURL/cURL-7.53.1.eb @@ -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' diff --git a/e/EasyBuild/EasyBuild-3.1.1-test.eb b/e/EasyBuild/EasyBuild-3.1.1-test.eb new file mode 100644 index 00000000..1874c44e --- /dev/null +++ b/e/EasyBuild/EasyBuild-3.1.1-test.eb @@ -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' diff --git a/e/EasyBuild/EasyBuild-3.1.1-test2.eb b/e/EasyBuild/EasyBuild-3.1.1-test2.eb new file mode 100644 index 00000000..ba7fa7a7 --- /dev/null +++ b/e/EasyBuild/EasyBuild-3.1.1-test2.eb @@ -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' diff --git a/e/Eigen/Eigen-3.2.9.eb b/e/Eigen/Eigen-3.2.9.eb new file mode 100644 index 00000000..6f0a11f1 --- /dev/null +++ b/e/Eigen/Eigen-3.2.9.eb @@ -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' diff --git a/g/GEOS/GEOS-3.5.0.eb b/g/GEOS/GEOS-3.5.0.eb new file mode 100644 index 00000000..90e7396d --- /dev/null +++ b/g/GEOS/GEOS-3.5.0.eb @@ -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' diff --git a/g/GNU/GNU-6.3.0-2.27.eb b/g/GNU/GNU-6.3.0-2.27.eb new file mode 100644 index 00000000..584edd6b --- /dev/null +++ b/g/GNU/GNU-6.3.0-2.27.eb @@ -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' diff --git a/g/GROMACS/GROMACS-5.1.4-foss-2016a-hybrid-single-PLUMED.eb b/g/GROMACS/GROMACS-5.1.4-foss-2016a-hybrid-single-PLUMED.eb index 2cc82d43..5ca7c6c1 100644 --- a/g/GROMACS/GROMACS-5.1.4-foss-2016a-hybrid-single-PLUMED.eb +++ b/g/GROMACS/GROMACS-5.1.4-foss-2016a-hybrid-single-PLUMED.eb @@ -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' diff --git a/g/git/git-2.12.0.eb b/g/git/git-2.12.0.eb new file mode 100644 index 00000000..d86dd4ed --- /dev/null +++ b/g/git/git-2.12.0.eb @@ -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' diff --git a/l/LSMS/LSMS-3_rev237-foss-2015g.eb b/l/LSMS/LSMS-3_rev237-foss-2015g.eb new file mode 100644 index 00000000..54e8542a --- /dev/null +++ b/l/LSMS/LSMS-3_rev237-foss-2015g.eb @@ -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' diff --git a/l/LSMS/LSMS-3_rev237-foss-2016a.eb b/l/LSMS/LSMS-3_rev237-foss-2016a.eb new file mode 100644 index 00000000..fa65d19e --- /dev/null +++ b/l/LSMS/LSMS-3_rev237-foss-2016a.eb @@ -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' diff --git a/l/LSMS/LSMS-Makefiles.patch b/l/LSMS/LSMS-Makefiles.patch new file mode 100644 index 00000000..5c1f5e59 --- /dev/null +++ b/l/LSMS/LSMS-Makefiles.patch @@ -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 diff --git a/l/Lmod/Lmod-7.3.28.eb b/l/Lmod/Lmod-7.3.28.eb new file mode 100644 index 00000000..23d8386f --- /dev/null +++ b/l/Lmod/Lmod-7.3.28.eb @@ -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" diff --git a/l/libGLU/libGLU-9.0.0-intel-2017a.eb b/l/libGLU/libGLU-9.0.0-intel-2017a.eb new file mode 100644 index 00000000..3a15334c --- /dev/null +++ b/l/libGLU/libGLU-9.0.0-intel-2017a.eb @@ -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' diff --git a/m/METIS/METIS-5.1.0.eb b/m/METIS/METIS-5.1.0.eb new file mode 100644 index 00000000..28604b45 --- /dev/null +++ b/m/METIS/METIS-5.1.0.eb @@ -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' diff --git a/m/MPFR/MPFR-3.1.4-intel-2017a.eb b/m/MPFR/MPFR-3.1.4-intel-2017a.eb new file mode 100644 index 00000000..882accac --- /dev/null +++ b/m/MPFR/MPFR-3.1.4-intel-2017a.eb @@ -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' diff --git a/m/Mesa/Mesa-11.1.2-intel-2017a.eb b/m/Mesa/Mesa-11.1.2-intel-2017a.eb new file mode 100644 index 00000000..6f7f3a57 --- /dev/null +++ b/m/Mesa/Mesa-11.1.2-intel-2017a.eb @@ -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' diff --git a/o/ORCA/ORCA-4_0_0-linux_x86-64.eb b/o/ORCA/ORCA-4_0_0-linux_x86-64.eb new file mode 100644 index 00000000..2575f813 --- /dev/null +++ b/o/ORCA/ORCA-4_0_0-linux_x86-64.eb @@ -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' diff --git a/o/OpenFOAM/OpenFOAM-4.1-cleanup.patch b/o/OpenFOAM/OpenFOAM-4.1-cleanup.patch new file mode 100644 index 00000000..76297bd6 --- /dev/null +++ b/o/OpenFOAM/OpenFOAM-4.1-cleanup.patch @@ -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 +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 $EBROOTLIBREADLINE/include/readline/readline.h ] + then + echo "Found -- enabling readline support." + export COMP_FLAGS="-DHAS_READLINE" +- export LINK_FLAGS="-lreadline" ++ export LINK_FLAGS="-L$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 ++ + extern "C" + { + #include +- #include + #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$(FOAM_EXT_LIBBIN) -lscotch -lscotcherrexit -lrt diff --git a/o/OpenFOAM/OpenFOAM-4.1-intel-2017a.eb b/o/OpenFOAM/OpenFOAM-4.1-intel-2017a.eb new file mode 100644 index 00000000..fcf08777 --- /dev/null +++ b/o/OpenFOAM/OpenFOAM-4.1-intel-2017a.eb @@ -0,0 +1,36 @@ +name = 'OpenFOAM' +version = '4.1' + +homepage = 'http://www.openfoam.com/' +description = """OpenFOAM is a free, open source CFD software package. + OpenFOAM has an extensive range of features to solve anything from complex fluid flows + involving chemical reactions, turbulence and heat transfer, + to solid dynamics and electromagnetics.""" + +toolchain = {'name': 'intel', 'version': '2017a'} +toolchainopts = {'cstd': 'c++11'} + +source_urls = ['https://github.com/OpenFOAM/OpenFOAM-%(version_major)s.x/archive'] +sources = ['version-%(version)s.tar.gz'] + +checksums = ['318a446c4ae6366c7296b61184acd37c'] + +patches = ['OpenFOAM-%(version)s-cleanup.patch'] + +dependencies = [ + ('libreadline', '6.3'), + ('ncurses', '6.0'), + # OpenFOAM requires 64 bit METIS using 32 bit indexes (array indexes) + ('METIS', '5.1.0', '', True), + ('SCOTCH', '6.0.4'), + ('CGAL', '4.8.1'), + ('ParaView', '5.1.2', '-mpi'), +] + +builddependencies = [ + ('Bison', '3.0.4'), + ('CMake', '3.7.2'), + ('flex', '2.6.3', '', ('GCCcore', '6.3.0')), +] + +moduleclass = 'cae' diff --git a/o/OpenMPI/OpenMPI-1.10.2-GCC-4.9.3-2.25.eb b/o/OpenMPI/OpenMPI-1.10.2-GCC-4.9.3-2.25.eb index 02098bfd..a78adbf7 100644 --- a/o/OpenMPI/OpenMPI-1.10.2-GCC-4.9.3-2.25.eb +++ b/o/OpenMPI/OpenMPI-1.10.2-GCC-4.9.3-2.25.eb @@ -13,11 +13,16 @@ source_urls = ['http://www.open-mpi.org/software/ompi/v%(version_major_minor)s/d dependencies = [('hwloc', '1.11.2')] +builddependencies = [ + ('Java', '1.8.0_51', '', True) +] + configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs ' configopts += '--enable-mpirun-prefix-by-default ' # suppress failure modes in relation to mpirun path configopts += '--with-hwloc=$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" && ' diff --git a/o/osm2pgsql/osm2pgsql-0.92.0-intel-2017a.eb b/o/osm2pgsql/osm2pgsql-0.92.0-intel-2017a.eb new file mode 100644 index 00000000..5995330b --- /dev/null +++ b/o/osm2pgsql/osm2pgsql-0.92.0-intel-2017a.eb @@ -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' diff --git a/o/osm2pgsql/osm2pgsql-0.92.0_fix.patch b/o/osm2pgsql/osm2pgsql-0.92.0_fix.patch new file mode 100644 index 00000000..8c7de3fb --- /dev/null +++ b/o/osm2pgsql/osm2pgsql-0.92.0_fix.patch @@ -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 \"${CMAKE_INSTALL_PREFIX}/share/osm2pgsql\") diff --git a/p/PROJ_4/PROJ_4-4.9.2.eb b/p/PROJ_4/PROJ_4-4.9.2.eb new file mode 100644 index 00000000..b5ce5c63 --- /dev/null +++ b/p/PROJ_4/PROJ_4-4.9.2.eb @@ -0,0 +1,15 @@ +name = 'PROJ_4' +version = '4.9.2' + +easyblock = 'ConfigureMake' + +homepage = 'http://proj.osgeo.org' +description = """PROJ.4 - Cartographic Projections Library originally written by Gerald Evenden then of the USGS. +""" + +toolchain = {'name': 'dummy', 'version': ''} + +sources = ['%(version)s.tar.gz'] +source_urls = ['https://github.com/OSGeo/proj.4/archive/'] + +moduleclass = 'geo' diff --git a/p/ParaView/ParaView-5.1.2-intel-2017a-mpi.eb b/p/ParaView/ParaView-5.1.2-intel-2017a-mpi.eb new file mode 100644 index 00000000..6d85b172 --- /dev/null +++ b/p/ParaView/ParaView-5.1.2-intel-2017a-mpi.eb @@ -0,0 +1,50 @@ +easyblock = 'CMakeMake' + +name = 'ParaView' +version = '5.1.2' +versionsuffix = '-mpi' + +homepage = "http://www.paraview.org" +description = "ParaView is a scientific parallel visualizer." + +toolchain = {'name': 'intel', 'version': '2017a'} +toolchainopts = {'pic': True, 'usempi': True} + +download_suffix = 'download.php?submit=Download&version=v%(version_major_minor)s&type=source&os=all&downloadFile=' +source_urls = ['http://www.paraview.org/paraview-downloads/%s' % download_suffix] +sources = ["ParaView-v%(version)s.tar.gz"] + +dependencies = [ + ('X11', '20160819'), + ('Mesa', '12.0.2'), + ('libGLU', '9.0.0'), + ('Qt', '4.8.7'), + ('zlib', '1.2.11', '', True), + ('HDF5', '1.8.17'), + ('Python', '2.7.12'), +] + +builddependencies = [('CMake', '3.7.2', '', True)] + +separate_build_dir = True + +configopts = '-DPARAVIEW_INSTALL_DEVELOPMENT_FILES=ON -DVTK_OPENGL_HAS_OSMESA=ON -DPARAVIEW_USE_MPI=ON ' +configopts += '-DOPENGL_INCLUDE_DIR=$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' diff --git a/q/QBOX/QBOX-r140b-foss-2016a.eb b/q/QBOX/QBOX-r140b-foss-2016a.eb new file mode 100644 index 00000000..52460586 --- /dev/null +++ b/q/QBOX/QBOX-r140b-foss-2016a.eb @@ -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' diff --git a/q/QBOX/QBOX-r140b_fix.patch b/q/QBOX/QBOX-r140b_fix.patch new file mode 100644 index 00000000..3497d775 --- /dev/null +++ b/q/QBOX/QBOX-r140b_fix.patch @@ -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 \ diff --git a/q/Qt5/Qt5-5.7.0-intel-2017a.eb b/q/Qt5/Qt5-5.7.0-intel-2017a.eb new file mode 100644 index 00000000..afe0a334 --- /dev/null +++ b/q/Qt5/Qt5-5.7.0-intel-2017a.eb @@ -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'