Commit 3a39a31b authored by easybuild's avatar easybuild

merge master

parents a0b0c981 d281eed6
name = 'Bazel'
version = '0.7.0'
homepage = 'http://bazel.io/'
description = """Bazel is a build tool that builds code quickly and reliably.
It is used to build the majority of Google's software."""
toolchain = {'name': 'GCC', 'version': '6.3.0-2.27'}
source_urls = ['https://github.com/bazelbuild/bazel/releases/download/%(version)s']
sources = ['%(namelower)s-%(version)s-dist.zip']
checksums = ['a084a9c5d843e2343bf3f319154a48abe3d35d52feb0ad45dec427a1c4ffc416']
builddependencies = [('binutils', '2.28')]
dependencies = [('Java', '1.8.0_144', '', True)]
moduleclass = 'devel'
name = 'Bazel'
version = '0.7.0'
homepage = 'http://bazel.io/'
description = """Bazel is a build tool that builds code quickly and reliably.
It is used to build the majority of Google's software."""
toolchain = {'name': 'GCC', 'version': '7.1.0-2.28'}
source_urls = ['https://github.com/bazelbuild/bazel/releases/download/%(version)s']
sources = ['%(namelower)s-%(version)s-dist.zip']
checksums = ['a084a9c5d843e2343bf3f319154a48abe3d35d52feb0ad45dec427a1c4ffc416']
builddependencies = [('binutils', '2.28')]
dependencies = [('Java', '1.8.0_144', '', True)]
moduleclass = 'devel'
easyblock = 'PythonPackage'
name = 'Keras'
version = '2.1.2'
versionsuffix = '-Tensorflow-1.6.0rc0-Python-%(pyver)s'
homepage = 'https://keras.io/'
description = """Keras is a minimalist, highly modular neural networks library, written in Python and
capable of running on top of either TensorFlow or Theano."""
toolchain = {'name': 'dummy', 'version': ''}
source_urls = ['https://github.com/keras-team/keras/archive']
sources = ['%(version)s.tar.gz']
use_pip = True
dependencies = [
('Python', '3.6.1'),
('Tensorflow', '1.6.0rc0'),
# ('h5py', '2.7.0', '%(versionsuffix)s'), internal Python 3.6.1
# ('PyYAML', '3.12', versionsuffix), internal Python 3.6.1
]
# it defaults to Tensorflow
modextravars = {'KERAS_BACKEND': 'tensorflow'}
sanity_check_paths = {
'files': [],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}
moduleclass = 'math'
# IT4Innovations 2017
easyblock = 'CmdCp'
name = 'LAMMPS'
version = '17Jan2018'
versionsuffix = '-MIC-test'
homepage = 'http://lammps.sandia.gov'
description = """LAMMPS is a classical molecular dynamics code,
and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.
Has potentials for solid-state materials (metals, semiconductors) and soft
matter (biomolecules, polymers) and coarse-grained or mesoscopic systems.
It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic,
meso, or continuum scale.
"""
toolchain = {'name': 'intel', 'version': '2017a'}
source_urls = ['https://github.com/lammps/lammps/archive']
sources = ['patch_17Jan2018.tar.gz']
patches = [
'LAMMPS-Makefile.intel_coprocessor.patch',
]
dependencies = [
('tbb', '2017.6.196', '', True),
('libjpeg-turbo', '1.5.1', '', True),
]
builddependencies = [
('Python', '2.7.13', '-base', True),
('CMake', '3.5.2', '', True)
]
maxparallel = 1
commands = "cd src && "
commands += "make lib-reax args='-m ifort' && make yes-reax && "
commands += "make yes-kspace && make yes-manybody && make yes-molecule && "
commands += "make yes-qeq && make yes-rigid && make yes-user-misc && "
commands += "make yes-user-reaxc && make yes-user-omp && make yes-user-intel && "
commands += "make yes-user-phonon && make yes-kokkos && "
commands += "make -j 16 intel_coprocessor && mv lmp_intel_coprocessor lammps"
cmds_map = [('.*', commands)]
files_to_copy = [
(['src/lammps'], 'bin'),
]
sanity_check_paths = {
'files': ['bin/lammps'],
'dirs': [''],
}
modluafooter = 'add_property("arch","offload")'
moduleclass = 'chem'
......@@ -27,6 +27,7 @@ patches = [
dependencies = [
('tbb', '2017.6.196', '', True),
('libjpeg-turbo', '1.5.1', '', True),
]
builddependencies = [
......@@ -55,6 +56,6 @@ sanity_check_paths = {
'dirs': [''],
}
modluafooter = 'add_property("arch","mic-offload")'
modluafooter = 'add_property("arch","offload")'
moduleclass = 'chem'
--- src/MAKE/OPTIONS/Makefile.intel_coprocessor.orig 2018-01-17 21:00:48.000000000 +0100
+++ src/MAKE/OPTIONS/Makefile.intel_coprocessor 2018-01-26 13:16:05.178751386 +0100
@@ -15,7 +15,7 @@
DEPFLAGS = -M
LINK = mpiicpc
-LINKFLAGS = -g -O3 -xHost -qopenmp -qoffload
+LINKFLAGS = -g -O3 –xMIC-AVX512 -qopenmp -qoffload
LIB = -ltbbmalloc
SIZE = size
--- src/MAKE/OPTIONS/Makefile.intel_coprocessor.orig 2018-02-06 15:18:00.653596378 +0100
+++ src/MAKE/OPTIONS/Makefile.intel_coprocessor 2018-02-06 15:18:29.860726704 +0100
@@ -23,6 +23,9 @@
ARFLAGS = -rc
SHLIBFLAGS = -shared
+KOKKOS_DEVICES = OpenMP
+KOKKOS_ARCH = KNC
+KOKKOS_USE_TPLS=librt
+
# ---------------------------------------------------------------------
# LAMMPS-specific settings, all OPTIONAL
# specify settings for LAMMPS features you will use
easyblock = 'PythonPackage'
name = 'Tensorflow'
version = '1.6.0rc0'
homepage = 'https://www.tensorflow.org/'
description = "An open-source software library for Machine Intelligence"
toolchain = {'name': 'dummy', 'version': ''}
pymaj = '3'
pymin = '6'
pymajmin = pymaj + pymin
#source_urls = ['https://pypi.python.org/packages/1f/38/c255432f18005362dd2459e3bff2b2411eb7d02ca09fa20ee1dd1311f69f/']
sources = [
'tensorflow-%(version)s-cp36-cp36m-linux_x86_64.whl',
]
dependencies = [
('Python', '%s.%s.1' % (pymaj, pymin)),
('GCC', '7.1.0-2.28'),
]
use_pip = True
unpack_sources = False
sanity_check_paths = {
'files': ['bin/tensorboard'],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}
moduleclass = 'lib'
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