Merge branch 'it4i-barbora'

f/foss/foss-2019a.eb

@@ -0,0 +1,36 @@
+# IT4Innovations 2020
+# LK
+
+easyblock = 'Toolchain'
+
+name = 'foss'
+version = '2019a'
+
+homepage = '(none)'
+description = """GNU Compiler Collection (GCC) based local_compiler toolchain, including
+ OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK."""
+
+toolchain = SYSTEM
+
+local_gccver = '8.3.0-2.32'
+
+local_blaslib = 'OpenBLAS'
+local_blasver = '0.2.20'
+blas = '%s-%s' % (local_blaslib, local_blasver)
+
+# toolchain used to build foss dependencies
+local_comp_mpi_tc_name = 'gompi'
+local_comp_mpi_tc = (local_comp_mpi_tc_name, version)
+
+# we need GCC and OpenMPI as explicit dependencies instead of gompi toolchain
+# because of toolchain preparation functions
+# For local_binutils, stick to http://wiki.osdev.org/Cross-Compiler_Successful_Builds
+dependencies = [
+    ('GCC', local_gccver),
+    ('OpenMPI', '4.0.4', '-CUDA', ('GCC', local_gccver)),
+    (local_blaslib, local_blasver, '', ('GCC', local_gccver)),
+    ('FFTW', '3.3.8'),
+    ('ScaLAPACK', '2.0.2', '-%s' % blas, local_comp_mpi_tc),
+]
+
+moduleclass = 'toolchain'

g/gompi/gompi-2019a.eb

@@ -0,0 +1,22 @@
+# IT4Innovations 2020a
+
+easyblock = "Toolchain"
+
+name = 'gompi'
+version = '2019a'
+
+homepage = '(none)'
+description = """GNU Compiler Collection (GCC) based local_compiler toolchain,
+ including OpenMPI for MPI support."""
+
+toolchain = SYSTEM
+
+local_gccver = '8.3.0-2.32'
+
+# local_compiler toolchain dependencies
+dependencies = [
+    ('GCC', local_gccver),  # includes both GCC and local_binutils
+    ('OpenMPI', '4.0.4', '-CUDA', ('GCC', '8.3.0-2.32')),
+]
+
+moduleclass = 'toolchain'

i/intelcuda/intelcuda-2020a.eb

@@ -0,0 +1,22 @@
+# IT4Innovations 2020
+# LK
+
+easyblock = 'Toolchain'
+
+name = 'intelcuda'
+version = '2020a'
+
+homepage = '(none)'
+description = """Intel Cluster Toolkit Compiler Edition provides Intel C/C++ and Fortran compilers,
+ Intel MPI & Intel MKL, with CUDA toolkit"""
+
+toolchain = SYSTEM
+
+dependencies = [
+    ('iccifort', '2020.0.166'),
+    ('impi', '2019.6.166-iccifort-2020.0.166'),
+    ('imkl', '2020.0.166-iimpi-2020a'),
+    ('CUDA', '10.2.89'),
+]
+
+moduleclass = 'toolchain'

m/magma/magma-2.5.3-foss-2018a-CUDA.eb

@@ -0,0 +1,38 @@
+# IT4Innovations 2020
+# LK
+
+easyblock = "ConfigureMake"
+
+name = 'magma'
+version = '2.5.3'
+
+homepage = 'http://icl.cs.utk.edu/magma/'
+description = """The MAGMA project aims to develop a dense linear algebra library similar to
+ LAPACK but for heterogeneous/hybrid architectures, starting with current Multicore+GPU systems."""
+
+toolchain = {'name': 'foss', 'version': '2018a'}
+toolchainopts = {'pic': True, 'openmp': True}
+
+source_urls = ['http://icl.cs.utk.edu/projectsfiles/magma/downloads/']
+sources = [SOURCE_TAR_GZ]
+patches = [('%(name)s-2.5.0-fix-makefile.patch')]
+
+dependencies = [
+    ('CUDA', '10.2.89', '', True),
+]
+
+skipsteps = ['configure']
+
+prebuildopts = 'touch make.inc && '
+# magma 2.5.0 does not build on sm_30 - so remove Kepler and specify sm_35
+# http://icl.cs.utk.edu/magma/forum/viewtopic.php?f=2&t=1906&sid=7048fadfd48a0d00c3c4294ddef6a096
+prebuildopts += 'GPU_TARGET="sm_35 Maxwell Pascal Volta" '
+
+installopts = 'prefix=%(installdir)s'
+
+sanity_check_paths = {
+    'files': ['lib/libmagma.so', 'lib/libmagma.a'],
+    'dirs': ['include'],
+}
+
+moduleclass = 'math'

m/magma/magma-2.5.3_Fix_makefile_for_intel.patch

@@ -0,0 +1,36 @@
+--- Makefile.orig	2020-06-26 10:13:22.473970426 +0200
++++ Makefile	2020-06-26 10:16:07.918622654 +0200
+@@ -10,7 +10,7 @@
+ CC         ?= cc
+ CXX        ?= c++
+ NVCC       ?= nvcc
+-FORT       ?=
++FORT       ?= $(FC)
+ ifeq ($(FORT),)
+     $(warning No Fortran compiler was given in FORT in make.inc. Some testers will not be able to check their results.)
+ endif
+@@ -23,17 +23,17 @@
+ #FPIC       = -fPIC
+ 
+ # may want -std=c99 for CFLAGS, -std=c++11 for CXXFLAGS
+-CFLAGS     ?= -O3 $(FPIC) -DADD_ -Wall -MMD
+-CXXFLAGS   ?= $(CFLAGS) -std=c++11
+-NVCCFLAGS  ?= -O3         -DADD_ -Xcompiler "$(FPIC) -Wall -Wno-unused-function" -std=c++11
+-FFLAGS     ?= -O3 $(FPIC) -DADD_ -Wall -Wno-unused-dummy-argument
+-F90FLAGS   ?= -O3 $(FPIC) -DADD_ -Wall -Wno-unused-dummy-argument
+-LDFLAGS    ?= -O3 $(FPIC)
++CFLAGS     := $(FPIC) -DADD_ -Wall -MMD $(CFLAGS)
++CXXFLAGS   := $(CFLAGS)
++NVCCFLAGS  :=         -DADD_ -Xcompiler " -Wall -Wno-unused-function -DADD_ -MMD -O2 -ftree-vectorize -march=native -fno-math-errno -fopenmp -fPIC"
++FFLAGS     := $(FPIC) -DADD_ -Wall -Wno-unused-dummy-argument $(FCFLAGS)
++F90FLAGS   := $(FPIC) -DADD_ -Wall -Wno-unused-dummy-argument $(F90FLAGS)
++LDFLAGS    := $(FPIC) -fopenmp $(LDFLAGS)
+ 
+ INC        ?= -I$(CUDADIR)/include
+ 
+ LIBDIR     ?= -L$(CUDADIR)/lib64
+-LIB        ?= -lcudart -lcudadevrt -lcublas -lcusparse -llapack -lblas -lpthread -lm
++LIB        ?= $(LIBLAPACK) -lcudart -lcublas -lcusparse $(LIBS)
+ 
+ GPU_TARGET ?= Kepler Maxwell Pascal
+ 

s/ScaLAPACK/ScaLAPACK-2.0.2-gompi-2019a-OpenBLAS-0.2.20.eb

@@ -0,0 +1,25 @@
+# IT4Innovations 2020
+# LK
+
+name = 'ScaLAPACK'
+version = '2.0.2'
+
+homepage = 'http://www.netlib.org/scalapack/'
+description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
+ redesigned for distributed memory MIMD parallel local_computers."""
+
+toolchain = {'name': 'gompi', 'version': '2019a'}
+toolchainopts = {'pic': True}
+
+source_urls = [homepage]
+sources = [SOURCELOWER_TGZ]
+checksums = ['0c74aeae690fe5ee4db7926f49c5d0bb69ce09eea75beb915e00bba07530395c']
+
+local_blaslib = 'OpenBLAS'
+local_blasver = '0.2.20'
+
+versionsuffix = "-%s-%s" % (local_blaslib, local_blasver)
+
+dependencies = [(local_blaslib, local_blasver, '', ('GCC', '8.3.0-2.32'))]
+
+moduleclass = 'numlib'