Merge pull request #10483 from boegel/20200426083330_new_pr_HPL23

{toolchain} foss/2020a

easybuild/easyconfigs/f/FFTW/FFTW-3.3.8-gompi-2020a.eb

@@ -0,0 +1,17 @@
+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': '2020a'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['6113262f6e92c5bd474f2875fa1b01054c4ad5040f6b0da7c03c98821d9ae303']
+
+runtest = 'check'
+
+moduleclass = 'numlib'

easybuild/easyconfigs/f/foss/foss-2020a.eb

@@ -0,0 +1,27 @@
+easyblock = 'Toolchain'
+
+name = 'foss'
+version = '2020a'
+
+homepage = 'https://easybuild.readthedocs.io/en/master/Common-toolchains.html#foss-toolchain'
+description = """GNU Compiler Collection (GCC) based compiler toolchain, including
+ OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK."""
+
+toolchain = SYSTEM
+
+local_gccver = '9.3.0'
+
+# toolchain used to build foss dependencies
+local_comp_mpi_tc = ('gompi', version)
+
+# we need GCC and OpenMPI as explicit dependencies instead of gompi toolchain
+# because of toolchain preparation functions
+dependencies = [
+    ('GCC', local_gccver),
+    ('OpenMPI', '4.0.3', '', ('GCC', local_gccver)),
+    ('OpenBLAS', '0.3.9', '', ('GCC', local_gccver)),
+    ('FFTW', '3.3.8', '', local_comp_mpi_tc),
+    ('ScaLAPACK', '2.1.0', '', local_comp_mpi_tc),
+]
+
+moduleclass = 'toolchain'

easybuild/easyconfigs/g/GCC/GCC-9.3.0.eb

@@ -0,0 +1,22 @@
+easyblock = 'Bundle'
+
+name = 'GCC'
+version = '9.3.0'
+
+homepage = 'https://gcc.gnu.org/'
+description = """The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada,
+ as well as libraries for these languages (libstdc++, libgcj,...)."""
+
+toolchain = SYSTEM
+
+dependencies = [
+    ('GCCcore', version),
+    # binutils built on top of GCCcore, which was built on top of (dummy-built) binutils
+    ('binutils', '2.34', '', ('GCCcore', version)),
+]
+
+altroot = 'GCCcore'
+altversion = 'GCCcore'
+
+# this bundle serves as a compiler-only toolchain, so it should be marked as compiler (important for HMNS)
+moduleclass = 'compiler'

easybuild/easyconfigs/g/gompi/gompi-2020a.eb

@@ -0,0 +1,20 @@
+easyblock = "Toolchain"
+
+name = 'gompi'
+version = '2020a'
+
+homepage = '(none)'
+description = """GNU Compiler Collection (GCC) based compiler toolchain,
+ including OpenMPI for MPI support."""
+
+toolchain = SYSTEM
+
+local_gccver = '9.3.0'
+
+# compiler toolchain dependencies
+dependencies = [
+    ('GCC', local_gccver),  # includes both GCC and binutils
+    ('OpenMPI', '4.0.3', '', ('GCC', local_gccver)),
+]
+
+moduleclass = 'toolchain'

easybuild/easyconfigs/h/HPL/HPL-2.3-foss-2020a.eb

@@ -0,0 +1,21 @@
+name = 'HPL'
+version = '2.3'
+
+homepage = 'https://www.netlib.org/benchmark/hpl/'
+description = """HPL is a software package that solves a (random) dense linear system in double precision (64 bits)
+ arithmetic on distributed-memory computers. It can thus be regarded as a portable as well as freely available
+ implementation of the High Performance Computing Linpack Benchmark."""
+
+toolchain = {'name': 'foss', 'version': '2020a'}
+toolchainopts = {'usempi': True}
+
+source_urls = ['https://www.netlib.org/benchmark/%(namelower)s']
+sources = [SOURCELOWER_TAR_GZ]
+# fix Make dependencies, so parallel build also works
+patches = ['HPL_parallel-make.patch']
+checksums = [
+    '32c5c17d22330e6f2337b681aded51637fb6008d3f0eb7c277b163fadd612830',  # hpl-2.3.tar.gz
+    '2a5bf9c4f328049828ddecec7ba3f05a9e25d236f4212747c53bd22fea80c5e6',  # HPL_parallel-make.patch
+]
+
+moduleclass = 'tools'

easybuild/easyconfigs/h/hwloc/hwloc-2.2.0-GCCcore-9.3.0.eb

@@ -0,0 +1,48 @@
+easyblock = 'ConfigureMake'
+
+name = 'hwloc'
+version = '2.2.0'
+
+homepage = 'https://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': 'GCCcore', 'version': '9.3.0'}
+# need to build with -fno-tree-vectorize to avoid segfaulting lstopo on Intel Skylake
+# cfr. https://github.com/open-mpi/hwloc/issues/315
+toolchainopts = {'vectorize': False}
+
+source_urls = ['https://www.open-mpi.org/software/hwloc/v%(version_major_minor)s/downloads/']
+sources = [SOURCE_TAR_GZ]
+checksums = ['2defba03ddd91761b858cbbdc2e3a6e27b44e94696dbfa21380191328485a433']
+
+builddependencies = [
+    ('binutils', '2.34'),
+]
+
+dependencies = [
+    ('numactl', '2.0.13'),
+    ('libxml2', '2.9.10'),
+    ('libpciaccess', '0.16'),
+]
+
+configopts = "--enable-libnuma=$EBROOTNUMACTL "
+configopts += "--disable-cairo --disable-opencl --disable-cuda --disable-nvml --disable-gl --disable-libudev "
+
+sanity_check_paths = {
+    'files': ['bin/lstopo', 'include/hwloc/linux.h',
+              'lib/libhwloc.%s' % SHLIB_EXT],
+    'dirs': ['share/man/man3'],
+}
+sanity_check_commands = ['lstopo']
+
+moduleclass = 'system'

easybuild/easyconfigs/l/libpciaccess/libpciaccess-0.16-GCCcore-9.3.0.eb

@@ -0,0 +1,26 @@
+easyblock = 'ConfigureMake'
+
+name = 'libpciaccess'
+version = '0.16'
+
+homepage = 'https://cgit.freedesktop.org/xorg/lib/libpciaccess/'
+description = """Generic PCI access library."""
+
+toolchain = {'name': 'GCCcore', 'version': '9.3.0'}
+
+source_urls = ['https://www.x.org/releases/individual/lib/']
+sources = [SOURCE_TAR_GZ]
+checksums = ['84413553994aef0070cf420050aa5c0a51b1956b404920e21b81e96db6a61a27']
+
+builddependencies = [
+    ('binutils', '2.34'),
+    ('Autotools', '20180311'),
+    ('xorg-macros', '1.19.2'),
+]
+
+sanity_check_paths = {
+    'files': ['include/pciaccess.h', 'lib/libpciaccess.a'],
+    'dirs': ['lib/pkgconfig'],
+}
+
+moduleclass = 'system'

easybuild/easyconfigs/l/libxml2/libxml2-2.9.10-GCCcore-9.3.0.eb

@@ -0,0 +1,28 @@
+name = 'libxml2'
+version = '2.9.10'
+
+homepage = 'http://xmlsoft.org/'
+
+description = """
+ Libxml2 is the XML C parser and toolchain developed for the Gnome project
+ (but usable outside of the Gnome platform).
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '9.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = [
+    'http://xmlsoft.org/sources/',
+    'http://xmlsoft.org/sources/old/'
+]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['aafee193ffb8fe0c82d4afef6ef91972cbaf5feea100edc2f262750611b4be1f']
+
+builddependencies = [('binutils', '2.34')]
+
+dependencies = [
+    ('XZ', '5.2.5'),
+    ('zlib', '1.2.11'),
+]
+
+moduleclass = 'lib'

easybuild/easyconfigs/n/numactl/numactl-2.0.13-GCCcore-9.3.0.eb

@@ -0,0 +1,34 @@
+easyblock = 'ConfigureMake'
+
+name = 'numactl'
+version = '2.0.13'
+
+homepage = 'https://github.com/numactl/numactl'
+
+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': 'GCCcore', 'version': '9.3.0'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://github.com/numactl/numactl/archive/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['97ee012b2f294903530424b4ff7f28bcaad6a356897ce8777383f87e5c2e325d']
+
+builddependencies = [
+    ('binutils', '2.34'),
+    ('Autotools', '20180311'),
+]
+
+preconfigopts = "./autogen.sh && "
+
+sanity_check_paths = {
+    'files': ['bin/numactl', 'bin/numastat', 'lib/libnuma.%s' % SHLIB_EXT, 'lib/libnuma.a'],
+    'dirs': ['share/man', 'include']
+}
+
+moduleclass = 'tools'

easybuild/easyconfigs/o/OpenBLAS/OpenBLAS-0.3.9-GCC-9.3.0.eb

@@ -0,0 +1,28 @@
+name = 'OpenBLAS'
+version = '0.3.9'
+
+homepage = 'https://xianyi.github.com/OpenBLAS/'
+description = "OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version."
+
+toolchain = {'name': 'GCC', 'version': '9.3.0'}
+
+source_urls = [
+    # order matters, trying to download the large.tgz/timing.tgz LAPACK tarballs from GitHub causes trouble
+    'https://www.netlib.org/lapack/timing/',
+    'https://github.com/xianyi/OpenBLAS/archive/',
+]
+sources = ['v%(version)s.tar.gz']
+patches = [
+    ('large.tgz', '.'),
+    ('timing.tgz', '.'),
+]
+checksums = [
+    '17d4677264dfbc4433e97076220adc79b050e4f8a083ea3f853a53af253bc380',  # v0.3.9.tar.gz
+    'f328d88b7fa97722f271d7d0cfea1c220e0f8e5ed5ff01d8ef1eb51d6f4243a1',  # large.tgz
+    '999c65f8ea8bd4eac7f1c7f3463d4946917afd20a997807300fe35d70122f3af',  # timing.tgz
+]
+
+# extensive testing can be enabled by uncommenting the line below
+# runtest = 'PATH=.:$PATH lapack-timing'
+
+moduleclass = 'numlib'

easybuild/easyconfigs/o/OpenMPI/OpenMPI-4.0.3-GCC-9.3.0.eb

@@ -0,0 +1,24 @@
+name = 'OpenMPI'
+version = '4.0.3'
+
+homepage = 'https://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+toolchain = {'name': 'GCC', 'version': '9.3.0'}
+
+source_urls = ['https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['6346bf976001ad274c7e018d6cc35c92bbb9426d8f7754fac00a17ea5ac8eebc']
+
+dependencies = [
+    ('zlib', '1.2.11'),
+    ('hwloc', '2.2.0')
+]
+
+# disable MPI1 compatibility for now, see what breaks...
+# configopts = '--enable-mpi1-compatibility '
+
+# to enable SLURM integration (site-specific)
+# configopts += '--with-slurm --with-pmi=/usr/include/slurm --with-pmi-libdir=/usr'
+
+moduleclass = 'mpi'

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.1.0-gompi-2020a.eb

@@ -0,0 +1,17 @@
+name = 'ScaLAPACK'
+version = '2.1.0'
+
+homepage = 'https://www.netlib.org/scalapack/'
+description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
+ redesigned for distributed memory MIMD parallel computers."""
+
+toolchain = {'name': 'gompi', 'version': '2020a'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = [SOURCELOWER_TGZ]
+checksums = ['61d9216cf81d246944720cfce96255878a3f85dec13b9351f1fa0fd6768220a6']
+
+dependencies = [('OpenBLAS', '0.3.9')]
+
+moduleclass = 'numlib'

easybuild/easyconfigs/x/xorg-macros/xorg-macros-1.19.2-GCCcore-9.3.0.eb

@@ -0,0 +1,37 @@
+##
+# This is a contribution from DeepThought HPC Service, Flinders University, Adelaide, Australia
+# Homepage: 	https://staff.flinders.edu.au/research/deep-thought
+#
+# Authors::	Robert Qiao <rob.qiao@flinders.edu.au>
+# License::	Custom
+#
+# Notes::
+##
+
+easyblock = 'ConfigureMake'
+
+name = 'xorg-macros'
+version = '1.19.2'
+
+homepage = 'https://cgit.freedesktop.org/xorg/util/macros'
+description = """X.org macros utilities."""
+
+toolchain = {'name': 'GCCcore', 'version': '9.3.0'}
+
+source_urls = ['https://gitlab.freedesktop.org/xorg/util/macros/-/archive/util-macros-%(version)s']
+sources = ['macros-util-macros-%(version)s.tar.gz']
+checksums = ['326e51a5d673e3d9cc7f139aee469a11e18ea060b1d06c22694612e68a2089b1']
+
+builddependencies = [
+    ('binutils', '2.34'),
+    ('Autotools', '20180311'),
+]
+
+preconfigopts = './autogen.sh && '
+
+sanity_check_paths = {
+    'files': ['share/pkgconfig/xorg-macros.pc'],
+    'dirs': [],
+}
+
+moduleclass = 'devel'