From 60b3905b2cac2bd0b20994e5725d5485b7a83d13 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Mon, 14 Jan 2019 08:04:38 +0100 Subject: [PATCH] new file: b/Boost/Boost-1.68.0-foss-2018a-Py-2.7.eb new file: b/Boost/Boost-1.68.0-gompi-2019.01-Python-2.7.15.eb new file: b/Boost/Boost-1.68.0-gompi-2019.01-serial.eb new file: b/Boost/Boost-1.68.0-gompi-2019.01.eb new file: b/Boost/Boost-1.68.0-gompi-2019.02-Python-2.7.15.eb new file: c/Clang/Clang-7.0.1-gompi-2019.02.eb new file: f/FFTW/FFTW-3.3.8-GCC-8.1.0-2.30.eb new file: f/FFTW/FFTW-3.3.8-gompi-2019.02.eb new file: g/GMP/GMP-6.1.2-gompi-2019.01.eb new file: g/gompi/gompi-2019.01.eb new file: g/gompi/gompi-2019.02.eb new file: h/HDF5/HDF5-1.10.4-GCC-8.1.0-2.30-serial.eb new file: h/HDF5/HDF5-1.10.4-gompi-2019.02-serial.eb new file: h/h5py/h5py-2.7.1-gompi-2019.01-Py-2.7.eb new file: h/hwloc/hwloc-1.11.7-GCC-7.3.0-2.30.eb new file: h/hwloc/hwloc-1.11.7-GCC-8.1.0-2.30.eb modified: m/mpi4py/mpi4py-3.0.0-Py-2.7.eb new file: m/mpi4py/mpi4py-3.0.0-gompi-2019.01-Py-2.7.eb new file: n/numactl/numactl-2.0.11-GCC-7.3.0-2.30.eb new file: n/numactl/numactl-2.0.11-GCC-8.1.0-2.30.eb new file: o/OpenBLAS/OpenBLAS-0.2.20-GCC-8.1.0-2.30.eb new file: o/OpenBLAS/OpenBLAS-0.2.20-gompi-2019.02.eb new file: o/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb new file: o/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb new file: p/Python/Python-2.7.15-gompi-2019.01.eb new file: p/Python/Python-2.7.15-gompi-2019.02.eb modified: t/TRIQS/TRIQS-1.4.1-foss-2017a.eb deleted: s/sqsgenerator/sqsgenerator-20180226-Py-3.6.eb deleted: s/sqsgenerator/sqsgenerator-20180823-Py-3.6-v2.eb deleted: s/sqsgenerator/sqsgenerator-20180823-Py-3.6.eb deleted: t/TRIQS/TRIQS-2.0-foss-2017a.eb --- b/Boost/Boost-1.68.0-foss-2018a-Py-2.7.eb | 28 ++++++++ ...oost-1.68.0-gompi-2019.01-Python-2.7.15.eb | 28 ++++++++ b/Boost/Boost-1.68.0-gompi-2019.01-serial.eb | 27 ++++++++ b/Boost/Boost-1.68.0-gompi-2019.01.eb | 25 ++++++++ ...oost-1.68.0-gompi-2019.02-Python-2.7.15.eb | 28 ++++++++ c/Clang/Clang-7.0.1-gompi-2019.02.eb | 39 +++++++++++ f/FFTW/FFTW-3.3.8-GCC-8.1.0-2.30.eb | 42 ++++++++++++ f/FFTW/FFTW-3.3.8-gompi-2019.02.eb | 42 ++++++++++++ g/GMP/GMP-6.1.2-gompi-2019.01.eb | 32 ++++++++++ g/gompi/gompi-2019.01.eb | 23 +++++++ g/gompi/gompi-2019.02.eb | 23 +++++++ h/HDF5/HDF5-1.10.4-GCC-8.1.0-2.30-serial.eb | 23 +++++++ h/HDF5/HDF5-1.10.4-gompi-2019.02-serial.eb | 23 +++++++ h/h5py/h5py-2.7.1-gompi-2019.01-Py-2.7.eb | 28 ++++++++ h/hwloc/hwloc-1.11.7-GCC-7.3.0-2.30.eb | 26 ++++++++ h/hwloc/hwloc-1.11.7-GCC-8.1.0-2.30.eb | 26 ++++++++ m/mpi4py/mpi4py-3.0.0-Py-2.7.eb | 2 +- m/mpi4py/mpi4py-3.0.0-gompi-2019.01-Py-2.7.eb | 27 ++++++++ n/numactl/numactl-2.0.11-GCC-7.3.0-2.30.eb | 31 +++++++++ n/numactl/numactl-2.0.11-GCC-8.1.0-2.30.eb | 31 +++++++++ o/OpenBLAS/OpenBLAS-0.2.20-GCC-8.1.0-2.30.eb | 64 +++++++++++++++++++ o/OpenBLAS/OpenBLAS-0.2.20-gompi-2019.02.eb | 64 +++++++++++++++++++ o/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb | 56 ++++++++++++++++ o/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb | 56 ++++++++++++++++ p/Python/Python-2.7.15-gompi-2019.01.eb | 42 ++++++++++++ p/Python/Python-2.7.15-gompi-2019.02.eb | 43 +++++++++++++ .../sqsgenerator-20180226-Py-3.6.eb | 43 ------------- .../sqsgenerator-20180823-Py-3.6-v2.eb | 47 -------------- .../sqsgenerator-20180823-Py-3.6.eb | 46 ------------- t/TRIQS/TRIQS-1.4.1-foss-2017a.eb | 2 +- t/TRIQS/TRIQS-2.0-foss-2017a.eb | 47 -------------- 31 files changed, 879 insertions(+), 185 deletions(-) create mode 100644 b/Boost/Boost-1.68.0-foss-2018a-Py-2.7.eb create mode 100644 b/Boost/Boost-1.68.0-gompi-2019.01-Python-2.7.15.eb create mode 100644 b/Boost/Boost-1.68.0-gompi-2019.01-serial.eb create mode 100644 b/Boost/Boost-1.68.0-gompi-2019.01.eb create mode 100644 b/Boost/Boost-1.68.0-gompi-2019.02-Python-2.7.15.eb create mode 100644 c/Clang/Clang-7.0.1-gompi-2019.02.eb create mode 100644 f/FFTW/FFTW-3.3.8-GCC-8.1.0-2.30.eb create mode 100644 f/FFTW/FFTW-3.3.8-gompi-2019.02.eb create mode 100644 g/GMP/GMP-6.1.2-gompi-2019.01.eb create mode 100644 g/gompi/gompi-2019.01.eb create mode 100644 g/gompi/gompi-2019.02.eb create mode 100644 h/HDF5/HDF5-1.10.4-GCC-8.1.0-2.30-serial.eb create mode 100644 h/HDF5/HDF5-1.10.4-gompi-2019.02-serial.eb create mode 100644 h/h5py/h5py-2.7.1-gompi-2019.01-Py-2.7.eb create mode 100644 h/hwloc/hwloc-1.11.7-GCC-7.3.0-2.30.eb create mode 100644 h/hwloc/hwloc-1.11.7-GCC-8.1.0-2.30.eb create mode 100644 m/mpi4py/mpi4py-3.0.0-gompi-2019.01-Py-2.7.eb create mode 100644 n/numactl/numactl-2.0.11-GCC-7.3.0-2.30.eb create mode 100644 n/numactl/numactl-2.0.11-GCC-8.1.0-2.30.eb create mode 100644 o/OpenBLAS/OpenBLAS-0.2.20-GCC-8.1.0-2.30.eb create mode 100644 o/OpenBLAS/OpenBLAS-0.2.20-gompi-2019.02.eb create mode 100644 o/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb create mode 100644 o/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb create mode 100644 p/Python/Python-2.7.15-gompi-2019.01.eb create mode 100644 p/Python/Python-2.7.15-gompi-2019.02.eb delete mode 100644 s/sqsgenerator/sqsgenerator-20180226-Py-3.6.eb delete mode 100644 s/sqsgenerator/sqsgenerator-20180823-Py-3.6-v2.eb delete mode 100644 s/sqsgenerator/sqsgenerator-20180823-Py-3.6.eb delete mode 100644 t/TRIQS/TRIQS-2.0-foss-2017a.eb diff --git a/b/Boost/Boost-1.68.0-foss-2018a-Py-2.7.eb b/b/Boost/Boost-1.68.0-foss-2018a-Py-2.7.eb new file mode 100644 index 00000000..c4a5ffa1 --- /dev/null +++ b/b/Boost/Boost-1.68.0-foss-2018a-Py-2.7.eb @@ -0,0 +1,28 @@ +# IT4Innovations 2019 + +name = 'Boost' +version = '1.68.0' +versionsuffix = '-Py-2.7' + +homepage = 'http://www.boost.org/' +description = """Boost provides free peer-reviewed portable C++ source libraries.""" + +toolchain = {'name': 'foss', 'version': '2018a'} +toolchainopts = {'pic': True, 'usempi': True} + +source_urls = [SOURCEFORGE_SOURCE] +sources = ['%%(namelower)s_%s.tar.gz' % '_'.join(version.split('.'))] + + +dependencies = [ + ('bzip2', '1.0.6', '', True), + ('zlib', '1.2.11', '', True), + ('Py', '2.7', '', True) +] + +configopts = '--with-python=$EBROOTPYTHON/bin/python' + +# also build boost_mpi +boost_mpi = True + +moduleclass = 'devel' diff --git a/b/Boost/Boost-1.68.0-gompi-2019.01-Python-2.7.15.eb b/b/Boost/Boost-1.68.0-gompi-2019.01-Python-2.7.15.eb new file mode 100644 index 00000000..d5c3ce7d --- /dev/null +++ b/b/Boost/Boost-1.68.0-gompi-2019.01-Python-2.7.15.eb @@ -0,0 +1,28 @@ +# IT4Innovations 2019 + +name = 'Boost' +version = '1.68.0' +versionsuffix = '-Python-2.7.15' + +homepage = 'http://www.boost.org/' +description = """Boost provides free peer-reviewed portable C++ source libraries.""" + +toolchain = {'name': 'gompi', 'version': '2019.01'} +toolchainopts = {'pic': True, 'usempi': True} + +source_urls = [SOURCEFORGE_SOURCE] +sources = ['%%(namelower)s_%s.tar.gz' % '_'.join(version.split('.'))] + + +dependencies = [ + ('bzip2', '1.0.6', '', True), + ('zlib', '1.2.11', '', True), + ('Python', '2.7.15') +] + +configopts = '--with-python=$EBROOTPYTHON/bin/python' + +# also build boost_mpi +boost_mpi = True + +moduleclass = 'devel' diff --git a/b/Boost/Boost-1.68.0-gompi-2019.01-serial.eb b/b/Boost/Boost-1.68.0-gompi-2019.01-serial.eb new file mode 100644 index 00000000..ea980be8 --- /dev/null +++ b/b/Boost/Boost-1.68.0-gompi-2019.01-serial.eb @@ -0,0 +1,27 @@ +# IT4Innovations 2019 + +name = 'Boost' +version = '1.68.0' +versionsuffix = '-Py-2.7-serial' + +homepage = 'http://www.boost.org/' +description = """Boost provides free peer-reviewed portable C++ source libraries.""" + +toolchain = {'name': 'gompi', 'version': '2019.01'} +toolchainopts = {'pic': True, 'usempi': True} + +source_urls = [SOURCEFORGE_SOURCE] +sources = ['%%(namelower)s_%s.tar.gz' % '_'.join(version.split('.'))] + +dependencies = [ + ('bzip2', '1.0.6', '', True), + ('zlib', '1.2.11', '', True), +] + +configopts = '--with-libraries=serialization ' +configopts += '--without-libraries=python' + +# also build boost_mpi +boost_mpi = True + +moduleclass = 'devel' diff --git a/b/Boost/Boost-1.68.0-gompi-2019.01.eb b/b/Boost/Boost-1.68.0-gompi-2019.01.eb new file mode 100644 index 00000000..810fa171 --- /dev/null +++ b/b/Boost/Boost-1.68.0-gompi-2019.01.eb @@ -0,0 +1,25 @@ +# IT4Innovations 2019 + +name = 'Boost' +version = '1.68.0' + +homepage = 'http://www.boost.org/' +description = """Boost provides free peer-reviewed portable C++ source libraries.""" + +toolchain = {'name': 'gompi', 'version': '2019.01'} +toolchainopts = {'pic': True, 'usempi': True} + +source_urls = [SOURCEFORGE_SOURCE] +sources = ['%%(namelower)s_%s.tar.gz' % '_'.join(version.split('.'))] + +dependencies = [ + ('bzip2', '1.0.6', '', True), + ('zlib', '1.2.11', '', True), +] + +configopts = '--without-libraries=python' + +# also build boost_mpi +boost_mpi = True + +moduleclass = 'devel' diff --git a/b/Boost/Boost-1.68.0-gompi-2019.02-Python-2.7.15.eb b/b/Boost/Boost-1.68.0-gompi-2019.02-Python-2.7.15.eb new file mode 100644 index 00000000..77816df0 --- /dev/null +++ b/b/Boost/Boost-1.68.0-gompi-2019.02-Python-2.7.15.eb @@ -0,0 +1,28 @@ +# IT4Innovations 2019 + +name = 'Boost' +version = '1.68.0' +versionsuffix = '-Python-2.7.15' + +homepage = 'http://www.boost.org/' +description = """Boost provides free peer-reviewed portable C++ source libraries.""" + +toolchain = {'name': 'gompi', 'version': '2019.02'} +toolchainopts = {'pic': True, 'usempi': True} + +source_urls = [SOURCEFORGE_SOURCE] +sources = ['%%(namelower)s_%s.tar.gz' % '_'.join(version.split('.'))] + + +dependencies = [ + ('bzip2', '1.0.6', '', True), + ('zlib', '1.2.11', '', True), + ('Python', '2.7.15') +] + +configopts = '--with-python=$EBROOTPYTHON/bin/python' + +# also build boost_mpi +boost_mpi = True + +moduleclass = 'devel' diff --git a/c/Clang/Clang-7.0.1-gompi-2019.02.eb b/c/Clang/Clang-7.0.1-gompi-2019.02.eb new file mode 100644 index 00000000..cb51efbc --- /dev/null +++ b/c/Clang/Clang-7.0.1-gompi-2019.02.eb @@ -0,0 +1,39 @@ +# IT4Innovations 2019 + +name = 'Clang' +version = '7.0.1' + +homepage = 'http://clang.llvm.org/' +description = """C, C++, Objective-C compiler, based on LLVM. Does not + include C++ standard library -- use libstdc++ from GCC.""" + +# Clang also depends on libstdc++ during runtime, but this dependency is +# already specified as the toolchain. +toolchain = {'name': 'gompi', 'version': '2019.02'} +# Do not set optarch to True: it will cause the build to fail +toolchainopts = {'optarch': False} + +source_urls = ["http://llvm.org/releases/%(version)s"] +sources = [ + 'llvm-%(version)s.src.tar.xz', + 'cfe-%(version)s.src.tar.xz', + 'compiler-rt-%(version)s.src.tar.xz', + 'polly-%(version)s.src.tar.xz', + 'openmp-%(version)s.src.tar.xz', +] + +dependencies = [ + ('GMP', '6.1.2'), +] + +builddependencies = [ + ('CMake', '3.13.1', '', True), + ('Python', '2.7.15'), + ('libxml2', '2.9.4', '', True), +] + +assertions = True +usepolly = True +skip_all_tests = True + +moduleclass = 'compiler' diff --git a/f/FFTW/FFTW-3.3.8-GCC-8.1.0-2.30.eb b/f/FFTW/FFTW-3.3.8-GCC-8.1.0-2.30.eb new file mode 100644 index 00000000..8d5c8c90 --- /dev/null +++ b/f/FFTW/FFTW-3.3.8-GCC-8.1.0-2.30.eb @@ -0,0 +1,42 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'FFTW' +version = '3.3.8' + +homepage = 'http://www.fftw.org' +description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) + in one or more dimensions, of arbitrary input size, and of both real and complex data.""" + +toolchain = {'name': 'GCC', 'version': '8.1.0-2.30'} +toolchainopts = {'optarch': True, 'pic': True} + +source_urls = [homepage] +sources = ['fftw-%(version)s.tar.gz'] + +common_configopts = "--enable-threads --enable-openmp --with-pic" + +configopts = [ + common_configopts + " --enable-single --enable-sse2 ", + common_configopts + " --enable-quad-precision", + common_configopts + " --enable-long-double ", + common_configopts + " --enable-sse2 ", # default as last + +] + +sanity_check_paths = { + 'files': [ + 'bin/fftw%s' % + x for x in [ + '-wisdom', '-wisdom-to-conf', 'f-wisdom', 'l-wisdom', 'q-wisdom']] + [ + 'include/fftw3%s' % + x for x in [ + '.f', '.f03', '.h', 'l.f03', 'q.f03']] + [ + 'lib/libfftw3%s%s.a' % + (x, y) for x in [ + '', 'f', 'l'] for y in [ + '', '_omp', '_threads']] + [ + 'lib/libfftw3q.a', 'lib/libfftw3q_omp.a'], 'dirs': ['lib/pkgconfig'], } + +moduleclass = 'numlib' diff --git a/f/FFTW/FFTW-3.3.8-gompi-2019.02.eb b/f/FFTW/FFTW-3.3.8-gompi-2019.02.eb new file mode 100644 index 00000000..564cb0cf --- /dev/null +++ b/f/FFTW/FFTW-3.3.8-gompi-2019.02.eb @@ -0,0 +1,42 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'FFTW' +version = '3.3.8' + +homepage = 'http://www.fftw.org' +description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) + in one or more dimensions, of arbitrary input size, and of both real and complex data.""" + +toolchain = {'name': 'gompi', 'version': '2019.02'} +toolchainopts = {'optarch': True, 'pic': True} + +source_urls = [homepage] +sources = ['fftw-%(version)s.tar.gz'] + +common_configopts = "--enable-threads --enable-openmp --with-pic" + +configopts = [ + common_configopts + " --enable-single --enable-sse2 --enable-mpi", + common_configopts + " --enable-quad-precision", + common_configopts + " --enable-long-double ", + common_configopts + " --enable-sse2 ", # default as last + +] + +sanity_check_paths = { + 'files': [ + 'bin/fftw%s' % + x for x in [ + '-wisdom', '-wisdom-to-conf', 'f-wisdom', 'l-wisdom', 'q-wisdom']] + [ + 'include/fftw3%s' % + x for x in [ + '.f', '.f03', '.h', 'l.f03', 'q.f03']] + [ + 'lib/libfftw3%s%s.a' % + (x, y) for x in [ + '', 'f', 'l'] for y in [ + '', '_omp', '_threads']] + [ + 'lib/libfftw3q.a', 'lib/libfftw3q_omp.a'], 'dirs': ['lib/pkgconfig'], } + +moduleclass = 'numlib' diff --git a/g/GMP/GMP-6.1.2-gompi-2019.01.eb b/g/GMP/GMP-6.1.2-gompi-2019.01.eb new file mode 100644 index 00000000..ec249d13 --- /dev/null +++ b/g/GMP/GMP-6.1.2-gompi-2019.01.eb @@ -0,0 +1,32 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'GMP' +version = '6.1.2' + +homepage = 'http://gmplib.org/' +description = """GMP is a free library for arbitrary precision arithmetic, +operating on signed integers, rational numbers, and floating point numbers. """ + +toolchain = {'name': 'gompi', 'version': '2019.01'} +toolchainopts = {'pic': True, 'precise': True} + +sources = [SOURCELOWER_TAR_BZ2] +source_urls = ['http://ftp.gnu.org/gnu/gmp'] + +builddependencies = [ + ('Autotools', '20150215', '', True), +] + +# enable C++ interface +configopts = '--enable-cxx' + +runtest = 'check' + +sanity_check_paths = { + 'files': ['lib/libgmp.%s' % SHLIB_EXT, 'include/gmp.h'], + 'dirs': [], +} + +moduleclass = 'math' diff --git a/g/gompi/gompi-2019.01.eb b/g/gompi/gompi-2019.01.eb new file mode 100644 index 00000000..37f590ca --- /dev/null +++ b/g/gompi/gompi-2019.01.eb @@ -0,0 +1,23 @@ +# IT4Innovations 2019 +# for TRIQS + +easyblock = "Toolchain" + +name = 'gompi' +version = '2019.01' + +homepage = '(none)' +description = """GNU Compiler Collection (GCC) based compiler toolchain, + including OpenMPI for MPI support.""" + +toolchain = {'name': 'dummy', 'version': ''} + +gccver = '8.1.0-2.30' + +# compiler toolchain dependencies +dependencies = [ + ('GCC', gccver), # includes both GCC and binutils + ('OpenMPI', '2.1.1', '', ('GCC', gccver)), +] + +moduleclass = 'toolchain' diff --git a/g/gompi/gompi-2019.02.eb b/g/gompi/gompi-2019.02.eb new file mode 100644 index 00000000..45f20a4b --- /dev/null +++ b/g/gompi/gompi-2019.02.eb @@ -0,0 +1,23 @@ +# IT4Innovations 2019 +# for TRIQS + +easyblock = "Toolchain" + +name = 'gompi' +version = '2019.02' + +homepage = '(none)' +description = """GNU Compiler Collection (GCC) based compiler toolchain, + including OpenMPI for MPI support.""" + +toolchain = {'name': 'dummy', 'version': ''} + +gccver = '7.3.0-2.30' + +# compiler toolchain dependencies +dependencies = [ + ('GCC', gccver), # includes both GCC and binutils + ('OpenMPI', '2.1.1', '', ('GCC', gccver)), +] + +moduleclass = 'toolchain' diff --git a/h/HDF5/HDF5-1.10.4-GCC-8.1.0-2.30-serial.eb b/h/HDF5/HDF5-1.10.4-GCC-8.1.0-2.30-serial.eb new file mode 100644 index 00000000..2935bfc8 --- /dev/null +++ b/h/HDF5/HDF5-1.10.4-GCC-8.1.0-2.30-serial.eb @@ -0,0 +1,23 @@ +# IT4Innovations 2019 + +name = 'HDF5' +version = '1.10.4' +versionsuffix = '-serial' + +homepage = 'http://www.hdfgroup.org/HDF5/' +description = """HDF5 is a unique technology suite that makes possible the management of + extremely large and complex data collections.""" + +toolchain = {'name': 'GCC', 'version': '8.1.0-2.30'} +toolchainopts = {'pic': True} + +source_urls = [ + 'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src'] +sources = [SOURCELOWER_TAR_GZ] + +dependencies = [ + ('zlib', '1.2.11', '', True), + ('Szip', '2.1', '', True), +] + +moduleclass = 'data' diff --git a/h/HDF5/HDF5-1.10.4-gompi-2019.02-serial.eb b/h/HDF5/HDF5-1.10.4-gompi-2019.02-serial.eb new file mode 100644 index 00000000..e532cded --- /dev/null +++ b/h/HDF5/HDF5-1.10.4-gompi-2019.02-serial.eb @@ -0,0 +1,23 @@ +# IT4Innovations 2019 + +name = 'HDF5' +version = '1.10.4' +versionsuffix = '-serial' + +homepage = 'http://www.hdfgroup.org/HDF5/' +description = """HDF5 is a unique technology suite that makes possible the management of + extremely large and complex data collections.""" + +toolchain = {'name': 'gompi', 'version': '2019.02'} +toolchainopts = {'pic': True} + +source_urls = [ + 'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src'] +sources = [SOURCELOWER_TAR_GZ] + +dependencies = [ + ('zlib', '1.2.11', '', True), + ('Szip', '2.1', '', True), +] + +moduleclass = 'data' diff --git a/h/h5py/h5py-2.7.1-gompi-2019.01-Py-2.7.eb b/h/h5py/h5py-2.7.1-gompi-2019.01-Py-2.7.eb new file mode 100644 index 00000000..8875b34c --- /dev/null +++ b/h/h5py/h5py-2.7.1-gompi-2019.01-Py-2.7.eb @@ -0,0 +1,28 @@ +# IT4Innovations 2019 + +easyblock = 'PythonPackage' + +name = 'h5py' +version = '2.7.1' +versionsuffix = '-gompi-2019.01' + +homepage = 'https://github.com/jupyter/testpath' +description = """Test utilities for code working with files and commands""" + +toolchain = {'name': 'Py', 'version': '2.7'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +dependencies = [ + ('HDF5', '1.10.4', '-serial', ('GCC', '8.1.0-2.30')), + ('numpy', '1.13.3'), + ('mpi4py', '3.0.0', '-gompi-2019.01'), # required for MPI support + ('six', '1.11.0'), +] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python2.7/site-packages/h5py-2.7.1-py2.7-linux-x86_64.egg'], +} +moduleclass = 'python' diff --git a/h/hwloc/hwloc-1.11.7-GCC-7.3.0-2.30.eb b/h/hwloc/hwloc-1.11.7-GCC-7.3.0-2.30.eb new file mode 100644 index 00000000..e68e0b3c --- /dev/null +++ b/h/hwloc/hwloc-1.11.7-GCC-7.3.0-2.30.eb @@ -0,0 +1,26 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'hwloc' +version = '1.11.7' + +homepage = 'http://www.open-mpi.org/projects/hwloc/' +description = """The Portable Hardware Locality (hwloc) software package provides a portable abstraction +(across OS, versions, architectures, ...) of the hierarchical topology of modern architectures, including +NUMA memory nodes, sockets, shared caches, cores and simultaneous multithreading. It also gathers various +system attributes such as cache and memory information as well as the locality of I/O devices such as +network interfaces, InfiniBand HCAs or GPUs. It primarily aims at helping applications with gathering +information about modern computing hardware so as to exploit it accordingly and efficiently.""" + +toolchain = {'name': 'GCC', 'version': '7.3.0-2.30'} + +source_urls = [ + 'http://www.open-mpi.org/software/hwloc/v%(version_major_minor)s/downloads/'] +sources = [SOURCE_TAR_GZ] + +dependencies = [('numactl', '2.0.11')] + +configopts = "--enable-libnuma=$EBROOTNUMACTL" + +moduleclass = 'system' diff --git a/h/hwloc/hwloc-1.11.7-GCC-8.1.0-2.30.eb b/h/hwloc/hwloc-1.11.7-GCC-8.1.0-2.30.eb new file mode 100644 index 00000000..085329f9 --- /dev/null +++ b/h/hwloc/hwloc-1.11.7-GCC-8.1.0-2.30.eb @@ -0,0 +1,26 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'hwloc' +version = '1.11.7' + +homepage = 'http://www.open-mpi.org/projects/hwloc/' +description = """The Portable Hardware Locality (hwloc) software package provides a portable abstraction +(across OS, versions, architectures, ...) of the hierarchical topology of modern architectures, including +NUMA memory nodes, sockets, shared caches, cores and simultaneous multithreading. It also gathers various +system attributes such as cache and memory information as well as the locality of I/O devices such as +network interfaces, InfiniBand HCAs or GPUs. It primarily aims at helping applications with gathering +information about modern computing hardware so as to exploit it accordingly and efficiently.""" + +toolchain = {'name': 'GCC', 'version': '8.1.0-2.30'} + +source_urls = [ + 'http://www.open-mpi.org/software/hwloc/v%(version_major_minor)s/downloads/'] +sources = [SOURCE_TAR_GZ] + +dependencies = [('numactl', '2.0.11')] + +configopts = "--enable-libnuma=$EBROOTNUMACTL" + +moduleclass = 'system' diff --git a/m/mpi4py/mpi4py-3.0.0-Py-2.7.eb b/m/mpi4py/mpi4py-3.0.0-Py-2.7.eb index 9e101beb..8b9d83bc 100644 --- a/m/mpi4py/mpi4py-3.0.0-Py-2.7.eb +++ b/m/mpi4py/mpi4py-3.0.0-Py-2.7.eb @@ -15,7 +15,7 @@ source_urls = [PYPI_SOURCE] sources = [SOURCE_TAR_GZ] dependencies = [ - ('OpenMPI', '1.10.7', '', ('GCC', '6.3.0-2.27')), + ('OpenMPI', '2.0.2', '', ('GCC', '6.3.0-2.27')), ] sanity_check_paths = { diff --git a/m/mpi4py/mpi4py-3.0.0-gompi-2019.01-Py-2.7.eb b/m/mpi4py/mpi4py-3.0.0-gompi-2019.01-Py-2.7.eb new file mode 100644 index 00000000..4fbf1ef0 --- /dev/null +++ b/m/mpi4py/mpi4py-3.0.0-gompi-2019.01-Py-2.7.eb @@ -0,0 +1,27 @@ +# IT4Innovations 2018 + +easyblock = 'PythonPackage' + +name = 'mpi4py' +version = '3.0.0' +versionsuffix = '-gompi-2019.01' + +homepage = 'http://mpi4py.scipy.org/docs' +description = """MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for + the Python programming language, allowing any Python program to exploit multiple processors.""" + +toolchain = {'name': 'Py', 'version': '2.7'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] + +dependencies = [ + ('gompi', '2019.01', '', True), +] + +sanity_check_paths = { + 'files': [], + 'dirs': ['lib/python2.7/site-packages/mpi4py'], +} + +moduleclass = 'python' diff --git a/n/numactl/numactl-2.0.11-GCC-7.3.0-2.30.eb b/n/numactl/numactl-2.0.11-GCC-7.3.0-2.30.eb new file mode 100644 index 00000000..6f62deab --- /dev/null +++ b/n/numactl/numactl-2.0.11-GCC-7.3.0-2.30.eb @@ -0,0 +1,31 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'numactl' +version = '2.0.11' + +homepage = 'http://oss.sgi.com/projects/libnuma/' +description = """The numactl program allows you to run your application program on specific cpu's and memory nodes. +It does this by supplying a NUMA memory policy to the operating system before running your program. +The libnuma library provides convenient ways for you to add NUMA memory policies into your own program.""" + +toolchain = {'name': 'GCC', 'version': '7.3.0-2.30'} + +source_urls = ['ftp://oss.sgi.com/www/projects/libnuma/download/'] +sources = [SOURCE_TAR_GZ] + +checksums = ['d3bc88b7ddb9f06d60898f4816ae9127'] + +sanity_check_paths = { + 'files': [ + 'bin/numactl', + 'bin/numastat', + 'lib/libnuma.%s' % + SHLIB_EXT, + 'lib/libnuma.a'], + 'dirs': [ + 'share/man', + 'include']} + +moduleclass = 'tools' diff --git a/n/numactl/numactl-2.0.11-GCC-8.1.0-2.30.eb b/n/numactl/numactl-2.0.11-GCC-8.1.0-2.30.eb new file mode 100644 index 00000000..e192f496 --- /dev/null +++ b/n/numactl/numactl-2.0.11-GCC-8.1.0-2.30.eb @@ -0,0 +1,31 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'numactl' +version = '2.0.11' + +homepage = 'http://oss.sgi.com/projects/libnuma/' +description = """The numactl program allows you to run your application program on specific cpu's and memory nodes. +It does this by supplying a NUMA memory policy to the operating system before running your program. +The libnuma library provides convenient ways for you to add NUMA memory policies into your own program.""" + +toolchain = {'name': 'GCC', 'version': '8.1.0-2.30'} + +source_urls = ['ftp://oss.sgi.com/www/projects/libnuma/download/'] +sources = [SOURCE_TAR_GZ] + +checksums = ['d3bc88b7ddb9f06d60898f4816ae9127'] + +sanity_check_paths = { + 'files': [ + 'bin/numactl', + 'bin/numastat', + 'lib/libnuma.%s' % + SHLIB_EXT, + 'lib/libnuma.a'], + 'dirs': [ + 'share/man', + 'include']} + +moduleclass = 'tools' diff --git a/o/OpenBLAS/OpenBLAS-0.2.20-GCC-8.1.0-2.30.eb b/o/OpenBLAS/OpenBLAS-0.2.20-GCC-8.1.0-2.30.eb new file mode 100644 index 00000000..27c01526 --- /dev/null +++ b/o/OpenBLAS/OpenBLAS-0.2.20-GCC-8.1.0-2.30.eb @@ -0,0 +1,64 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'OpenBLAS' +version = '0.2.20' + +homepage = 'http://xianyi.github.com/OpenBLAS/' +description = "OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version." + +toolchain = {'name': 'GCC', 'version': '8.1.0-2.30'} + +large_src = 'large.tgz' +timing_src = 'timing.tgz' + +source_urls = [ + # order matters, trying to download the large.tgz/timing.tgz LAPACK + # tarballs from GitHub causes trouble + 'http://www.netlib.org/lapack/timing/', + 'https://github.com/xianyi/OpenBLAS/archive/', +] +sources = ['v%(version)s.tar.gz'] +checksums = [ + '5ef38b15d9c652985774869efd548b8e3e972e1e99475c673b25537ed7bcf394', + # v0.2.20.tar.gz (OpenBLAS) + 'f328d88b7fa97722f271d7d0cfea1c220e0f8e5ed5ff01d8ef1eb51d6f4243a1', # large.tgz + '999c65f8ea8bd4eac7f1c7f3463d4946917afd20a997807300fe35d70122f3af', # timing.tgz + # OpenBLAS-0.2.20_fix-Intel-L1-cache-size-detection.patch + '1d043e4838ec1f90b2b49318b780e3ab13b46133cb72a8d83eb0e3b1b056c4d6', + '1e6a046ab658c6e0b351de901d2812db28c2042f9f141416144c2faaf71fbb37', + # OpenBLAS-0.2.20_revert-honor-cpuset.patch +] + +patches = [ + (large_src, '.'), + (timing_src, '.'), + 'OpenBLAS-%(version)s_fix-Intel-L1-cache-size-detection.patch', + 'OpenBLAS-%(version)s_revert-honor-cpuset.patch', +] + +skipsteps = ['configure'] + +buildopts = 'BINARY=64 USE_THREAD=1 USE_OPENMP=1 CC="$CC" FC="$F77"' +installopts = "USE_THREAD=1 USE_OPENMP=1 PREFIX=%(installdir)s" + +# extensive testing can be enabled by uncommenting the line below +# runtest = 'PATH=.:$PATH lapack-timing' + +sanity_check_paths = { + 'files': [ + 'include/cblas.h', + 'include/f77blas.h', + 'include/lapacke_config.h', + 'include/lapacke.h', + 'include/lapacke_mangling.h', + 'include/lapacke_utils.h', + 'include/openblas_config.h', + 'lib/libopenblas.a', + 'lib/libopenblas.%s' % + SHLIB_EXT], + 'dirs': [], +} + +moduleclass = 'numlib' diff --git a/o/OpenBLAS/OpenBLAS-0.2.20-gompi-2019.02.eb b/o/OpenBLAS/OpenBLAS-0.2.20-gompi-2019.02.eb new file mode 100644 index 00000000..b7c520a8 --- /dev/null +++ b/o/OpenBLAS/OpenBLAS-0.2.20-gompi-2019.02.eb @@ -0,0 +1,64 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'OpenBLAS' +version = '0.2.20' + +homepage = 'http://xianyi.github.com/OpenBLAS/' +description = "OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version." + +toolchain = {'name': 'gompi', 'version': '2019.02'} + +large_src = 'large.tgz' +timing_src = 'timing.tgz' + +source_urls = [ + # order matters, trying to download the large.tgz/timing.tgz LAPACK + # tarballs from GitHub causes trouble + 'http://www.netlib.org/lapack/timing/', + 'https://github.com/xianyi/OpenBLAS/archive/', +] +sources = ['v%(version)s.tar.gz'] +checksums = [ + '5ef38b15d9c652985774869efd548b8e3e972e1e99475c673b25537ed7bcf394', + # v0.2.20.tar.gz (OpenBLAS) + 'f328d88b7fa97722f271d7d0cfea1c220e0f8e5ed5ff01d8ef1eb51d6f4243a1', # large.tgz + '999c65f8ea8bd4eac7f1c7f3463d4946917afd20a997807300fe35d70122f3af', # timing.tgz + # OpenBLAS-0.2.20_fix-Intel-L1-cache-size-detection.patch + '1d043e4838ec1f90b2b49318b780e3ab13b46133cb72a8d83eb0e3b1b056c4d6', + '1e6a046ab658c6e0b351de901d2812db28c2042f9f141416144c2faaf71fbb37', + # OpenBLAS-0.2.20_revert-honor-cpuset.patch +] + +patches = [ + (large_src, '.'), + (timing_src, '.'), + 'OpenBLAS-%(version)s_fix-Intel-L1-cache-size-detection.patch', + 'OpenBLAS-%(version)s_revert-honor-cpuset.patch', +] + +skipsteps = ['configure'] + +buildopts = 'BINARY=64 USE_THREAD=1 USE_OPENMP=1 CC="$CC" FC="$F77"' +installopts = "USE_THREAD=1 USE_OPENMP=1 PREFIX=%(installdir)s" + +# extensive testing can be enabled by uncommenting the line below +# runtest = 'PATH=.:$PATH lapack-timing' + +sanity_check_paths = { + 'files': [ + 'include/cblas.h', + 'include/f77blas.h', + 'include/lapacke_config.h', + 'include/lapacke.h', + 'include/lapacke_mangling.h', + 'include/lapacke_utils.h', + 'include/openblas_config.h', + 'lib/libopenblas.a', + 'lib/libopenblas.%s' % + SHLIB_EXT], + 'dirs': [], +} + +moduleclass = 'numlib' diff --git a/o/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb b/o/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb new file mode 100644 index 00000000..d1829648 --- /dev/null +++ b/o/OpenMPI/OpenMPI-2.1.1-GCC-7.3.0-2.30.eb @@ -0,0 +1,56 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'OpenMPI' +version = '2.1.1' + +homepage = 'http://www.open-mpi.org/' +description = """The Open MPI Project is an open source MPI-2 implementation.""" + +toolchain = {'name': 'GCC', 'version': '7.3.0-2.30'} + +sources = [SOURCELOWER_TAR_GZ] +source_urls = [ + 'http://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads'] + +dependencies = [('hwloc', '1.11.7')] + +builddependencies = [ + ('Java', '1.8.0_144', '', True) +] + +configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs ' +# suppress failure modes in relation to mpirun path +configopts += '--enable-mpirun-prefix-by-default ' +configopts += '--with-hwloc=$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" && ' + +# needed for --with-verbs +osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')] + +libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"] +sanity_check_paths = { + 'files': [ + "bin/%s" % + binfile for binfile in [ + "ompi_info", "opal_wrapper", "orterun"]] + [ + "lib/lib%s.%s" % + (libfile, SHLIB_EXT) for libfile in libs] + [ + "include/%s.h" % + x for x in [ + "mpi-ext", "mpif-config", "mpif", "mpi", "mpi_portable_platform"]], 'dirs': [], } + +modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx4_0', + 'OMPI_MCA_oob_tcp_if_include': '10.0.0.0/8', + } + +#modluafooter = 'add_property("state","testing")' + +moduleclass = 'mpi' diff --git a/o/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb b/o/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb new file mode 100644 index 00000000..42042d03 --- /dev/null +++ b/o/OpenMPI/OpenMPI-2.1.1-GCC-8.1.0-2.30.eb @@ -0,0 +1,56 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'OpenMPI' +version = '2.1.1' + +homepage = 'http://www.open-mpi.org/' +description = """The Open MPI Project is an open source MPI-2 implementation.""" + +toolchain = {'name': 'GCC', 'version': '8.1.0-2.30'} + +sources = [SOURCELOWER_TAR_GZ] +source_urls = [ + 'http://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads'] + +dependencies = [('hwloc', '1.11.7')] + +builddependencies = [ + ('Java', '1.8.0_144', '', True) +] + +configopts = '--with-threads=posix --enable-shared --enable-mpi-thread-multiple --with-verbs ' +# suppress failure modes in relation to mpirun path +configopts += '--enable-mpirun-prefix-by-default ' +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" && ' + +# needed for --with-verbs +osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')] + +libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"] +sanity_check_paths = { + 'files': [ + "bin/%s" % + binfile for binfile in [ + "ompi_info", "opal_wrapper", "orterun"]] + [ + "lib/lib%s.%s" % + (libfile, SHLIB_EXT) for libfile in libs] + [ + "include/%s.h" % + x for x in [ + "mpi-ext", "mpif-config", "mpif", "mpi", "mpi_portable_platform"]], 'dirs': [], } + +modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx4_0', + 'OMPI_MCA_oob_tcp_if_include': '10.0.0.0/8', + } + +#modluafooter = 'add_property("state","testing")' + +moduleclass = 'mpi' diff --git a/p/Python/Python-2.7.15-gompi-2019.01.eb b/p/Python/Python-2.7.15-gompi-2019.01.eb new file mode 100644 index 00000000..5fbda9a9 --- /dev/null +++ b/p/Python/Python-2.7.15-gompi-2019.01.eb @@ -0,0 +1,42 @@ +# IT4Innovations 2019 + +easyblock = "EB_Python" +name = 'Python' +version = '2.7.15' + +homepage = 'http://python.org/' +description = "Python is a programming language that lets you work more quickly and integrate your systems more effectively." + +toolchain = {'name': 'gompi', 'version': '2019.01'} +toolchainopts = {'pic': True, 'opt': True, 'optarch': True} + +source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/'] +sources = [SOURCE_TGZ] + +dependencies = [ + ('bzip2', '1.0.6', '', True), + ('zlib', '1.2.11', '', True), + ('libreadline', '7.0', '', True), + ('ncurses', '6.1', '', True), + ('SQLite', '3.17.0', '', True), + ('Tk', '8.6.6', '', True), +] + +osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')] + +#buildopts = 'CPPFLAGS="-I/apps/all/bzip2/1.0.6/include -I/apps/all/zlib/1.2.8/include -I/apps/all/ncurses/5.9/include -I/apps/all/SQLite/3.8.8.1/include" LDFLAGS="-L/apps/all/bzip2/1.0.6/lib -L/apps/all/zlib/1.2.8/lib -L/apps/all/ncurses/5.9/lib -L/apps/all/SQLite/3.8.8.1/lib:$CPPFLAGS"' + +exts_list = [ + ('setuptools', '38.4.0', { + 'source_urls': ['https://pypi.python.org/packages/source/s/setuptools/'], + 'source_tmpl': '%(name)s-%(version)s.zip', + }), + ('pip', '9.0.1', { + 'source_urls': ['http://pypi.python.org/packages/source/p/pip/'], + }), + ('nose', '1.3.7', { + 'source_urls': ['http://pypi.python.org/packages/source/n/nose/'], + }), +] + +moduleclass = 'lang' diff --git a/p/Python/Python-2.7.15-gompi-2019.02.eb b/p/Python/Python-2.7.15-gompi-2019.02.eb new file mode 100644 index 00000000..7bc07e6f --- /dev/null +++ b/p/Python/Python-2.7.15-gompi-2019.02.eb @@ -0,0 +1,43 @@ +# IT4Innovations 2019 + +easyblock = "EB_Python" +name = 'Python' +version = '2.7.15' + +homepage = 'http://python.org/' +description = "Python is a programming language that lets you work more quickly and integrate your systems more effectively." + +toolchain = {'name': 'gompi', 'version': '2019.02'} +toolchainopts = {'pic': True, 'opt': True, 'optarch': True} + +source_urls = ['http://www.python.org/ftp/%(namelower)s/%(version)s/'] +sources = [SOURCE_TGZ] + +dependencies = [ + ('bzip2', '1.0.6', '', True), + ('zlib', '1.2.11', '', True), + ('libreadline', '7.0', '', True), + ('ncurses', '6.1', '', True), + ('SQLite', '3.17.0', '', True), + ('Tk', '8.6.6', '', True), + ('HDF5', '1.10.4', '-serial'), +] + +osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')] + +#buildopts = 'CPPFLAGS="-I/apps/all/bzip2/1.0.6/include -I/apps/all/zlib/1.2.8/include -I/apps/all/ncurses/5.9/include -I/apps/all/SQLite/3.8.8.1/include" LDFLAGS="-L/apps/all/bzip2/1.0.6/lib -L/apps/all/zlib/1.2.8/lib -L/apps/all/ncurses/5.9/lib -L/apps/all/SQLite/3.8.8.1/lib:$CPPFLAGS"' + +exts_list = [ + ('setuptools', '38.4.0', { + 'source_urls': ['https://pypi.python.org/packages/source/s/setuptools/'], + 'source_tmpl': '%(name)s-%(version)s.zip', + }), + ('pip', '9.0.1', { + 'source_urls': ['http://pypi.python.org/packages/source/p/pip/'], + }), + ('nose', '1.3.7', { + 'source_urls': ['http://pypi.python.org/packages/source/n/nose/'], + }), +] + +moduleclass = 'lang' diff --git a/s/sqsgenerator/sqsgenerator-20180226-Py-3.6.eb b/s/sqsgenerator/sqsgenerator-20180226-Py-3.6.eb deleted file mode 100644 index b9cbd1d0..00000000 --- a/s/sqsgenerator/sqsgenerator-20180226-Py-3.6.eb +++ /dev/null @@ -1,43 +0,0 @@ -# IT4Innovations 2018 - -easyblock = 'PythonPackage' - -name = 'sqsgenerator' -version = '20180226' - -homepage = 'https://github.com/dnoeger/sqsgenerator' -description = """This package is a Special Quasirandom Structure generator written in Python3/Cython. -Please note that the programm currently only works with Python 3.""" - -toolchain = {'name': 'Py', 'version': '3.6'} - -source_urls = ['https://github.com/dnoeger/sqsgenerator/archive/'] -sources = ['master.zip'] - -dependencies = [ - ('Cython', '0.27.3'), - ('pymatgen', '2018.1.29'), -] - -sanity_check_paths = { - 'files': [ - 'bin/chardetect', - 'bin/cygdb', - 'bin/cython', - 'bin/cythonize', - 'bin/f2py', - 'bin/feff_input_generation', - 'bin/feff_plot_cross_section', - 'bin/feff_plot_dos', - 'bin/gaussian_analyzer', - 'bin/get_environment', - 'bin/isympy', - 'bin/pmg', - 'bin/pydii', - 'bin/sqsgenerator', - 'bin/tabulate'], - 'dirs': [ - 'bin', - 'lib']} - -moduleclass = 'lang' diff --git a/s/sqsgenerator/sqsgenerator-20180823-Py-3.6-v2.eb b/s/sqsgenerator/sqsgenerator-20180823-Py-3.6-v2.eb deleted file mode 100644 index ecad5e6e..00000000 --- a/s/sqsgenerator/sqsgenerator-20180823-Py-3.6-v2.eb +++ /dev/null @@ -1,47 +0,0 @@ -# IT4Innovations 2018 - -easyblock = 'PythonPackage' - -name = 'sqsgenerator' -version = '20180823' -versionsuffix = '-v2' - -homepage = 'https://github.com/dnoeger/sqsgenerator' -description = """This package is a Special Quasirandom Structure generator written in Python3/Cython. -Please note that the programm currently only works with Python 3.""" - -toolchain = {'name': 'Py', 'version': '3.6'} - -source_urls = ['https://github.com/dnoeger/sqsgenerator/archive/'] -sources = ['master.zip'] - -patches = ['sqsgenerator-20180823-Py-3.6.patch'] - -dependencies = [ - ('Cython', '0.27.3'), - ('pymatgen', '2018.1.29'), - ('GMP', '6.1.2', '', True), -] - -sanity_check_paths = { - 'files': [ - 'bin/chardetect', - 'bin/cygdb', - 'bin/cython', - 'bin/cythonize', - 'bin/f2py', - 'bin/feff_input_generation', - 'bin/feff_plot_cross_section', - 'bin/feff_plot_dos', - 'bin/gaussian_analyzer', - 'bin/get_environment', - 'bin/isympy', - 'bin/pmg', - 'bin/pydii', - 'bin/sqsgenerator', - 'bin/tabulate'], - 'dirs': [ - 'bin', - 'lib']} - -moduleclass = 'lang' diff --git a/s/sqsgenerator/sqsgenerator-20180823-Py-3.6.eb b/s/sqsgenerator/sqsgenerator-20180823-Py-3.6.eb deleted file mode 100644 index 593fef16..00000000 --- a/s/sqsgenerator/sqsgenerator-20180823-Py-3.6.eb +++ /dev/null @@ -1,46 +0,0 @@ -# IT4Innovations 2018 - -easyblock = 'PythonPackage' - -name = 'sqsgenerator' -version = '20180823' - -homepage = 'https://github.com/dnoeger/sqsgenerator' -description = """This package is a Special Quasirandom Structure generator written in Python3/Cython. -Please note that the programm currently only works with Python 3.""" - -toolchain = {'name': 'Py', 'version': '3.6'} - -source_urls = ['https://github.com/dnoeger/sqsgenerator/archive/'] -sources = ['1da686b94d5bcc9bf3e6c4983823efe86c5b2dd7.zip'] - -patches = ['sqsgenerator-20180823-Py-3.6.patch'] - -dependencies = [ - ('Cython', '0.27.3'), - ('pymatgen', '2018.1.29'), - ('GMP', '6.1.2', '', True), -] - -sanity_check_paths = { - 'files': [ - 'bin/chardetect', - 'bin/cygdb', - 'bin/cython', - 'bin/cythonize', - 'bin/f2py', - 'bin/feff_input_generation', - 'bin/feff_plot_cross_section', - 'bin/feff_plot_dos', - 'bin/gaussian_analyzer', - 'bin/get_environment', - 'bin/isympy', - 'bin/pmg', - 'bin/pydii', - 'bin/sqsgenerator', - 'bin/tabulate'], - 'dirs': [ - 'bin', - 'lib']} - -moduleclass = 'lang' diff --git a/t/TRIQS/TRIQS-1.4.1-foss-2017a.eb b/t/TRIQS/TRIQS-1.4.1-foss-2017a.eb index d4cd3f7b..fc9215dc 100644 --- a/t/TRIQS/TRIQS-1.4.1-foss-2017a.eb +++ b/t/TRIQS/TRIQS-1.4.1-foss-2017a.eb @@ -30,7 +30,7 @@ dependencies = [ ('tornado', '4.5.3', '', ('Py', '2.7')), ('virtualenv', '15.1.0', '', ('Py', '2.7')), ('pyzmq', '16.0.4', '', ('Py', '2.7')), - ('HDF5', '1.10.1', '-serial'), +# ('HDF5', '1.10.1', '-serial'), ] builddependencies = [ diff --git a/t/TRIQS/TRIQS-2.0-foss-2017a.eb b/t/TRIQS/TRIQS-2.0-foss-2017a.eb deleted file mode 100644 index c09778f4..00000000 --- a/t/TRIQS/TRIQS-2.0-foss-2017a.eb +++ /dev/null @@ -1,47 +0,0 @@ -# IT4Innovations 2019 - -# cthyb extension installed manually https://triqs.ipht.cnrs.fr/1.4/applications/cthyb/install.html -# som extension installed with EB s/som/som-1.1-foss-2017a.eb - -easyblock = 'CMakeMake' - -name = 'TRIQS' -version = '2.0' - -homepage = 'https://triqs.ipht.cnrs.fr' -description = """TRIQS (Toolbox for Research on Interacting Quantum Systems) is a scientific - project providing a set of C++ and Python libraries to develop new tools for the study - of interacting quantum systems.""" - -toolchain = {'name': 'foss', 'version': '2017a'} - -source_urls = ['https://github.com/TRIQS/triqs/archive/'] -sources = ['%(version)s.tar.gz'] - -dependencies = [ - ('Mako', '1.0.7', '', ('Py', '2.7')), - ('mpi4py', '3.0.0', '', ('Py', '2.7')), - ('Boost', '1.66.0', '-Py-2.7', ('foss', '2017a')), - ('numpy', '1.13.3', '', ('Py', '2.7')), - ('scipy', '1.0.0', '', ('Py', '2.7')), - ('h5py', '2.7.1', '', ('Py', '2.7')), - ('Jinja2', '2.10', '', ('Py', '2.7')), - ('matplotlib', '2.1.1', '', ('Py', '2.7')), - ('tornado', '4.5.3', '', ('Py', '2.7')), - ('virtualenv', '15.1.0', '', ('Py', '2.7')), - ('pyzmq', '16.0.4', '', ('Py', '2.7')), - ('HDF5', '1.10.1', '-serial'), -] - -builddependencies = [ - ('CMake', '3.13.1', '', True), -] - -separate_build_dir = True - -sanity_check_paths = { - 'files': ['bin/pytriqs', 'lib/libtriqs.so'], - 'dirs': [], -} - -moduleclass = 'lib'