Merge branch 'it4i-anselm'

b/Bazel/Bazel-0.5.4-GCC-7.1.0-2.28.eb

@@ -0,0 +1,38 @@
+# @author: Robert Schmidt (OHRI)
+# @author: Guilherme Peretti-Pezzi (CSCS)
+
+easyblock = "CmdCp"
+
+name = 'Bazel'
+version = '0.5.4'
+
+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'}
+
+sources = ['%(namelower)s-%(version)s-dist.zip']
+source_urls = ['https://github.com/bazelbuild/bazel/releases/download/%(version)s']
+
+patches = [
+    ('cc_configure.patch'),
+    ('CROSSTOOL.patch'),
+]
+
+prebuildopts = "export EXTRA_BAZEL_ARGS='--ignore_unsupported_sandboxing --genrule_strategy=standalone --spawn_strategy=standalone --jobs=24' && "
+
+dependencies = [
+    ('Java', '1.8.0_121', '', True),
+]
+
+cmds_map = [('.*', "./compile.sh")]
+
+files_to_copy = [(['output/bazel'], 'bin')]
+
+sanity_check_paths={
+    'files': ['bin/bazel'],
+    'dirs':  [],
+}
+
+moduleclass = 'devel'

k/Keras/Keras-2.1.2-Tensorflow-1.2.1-Python-3.6.1.eb

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+easyblock = 'PythonPackage'
+
+name = 'Keras'
+version = '2.1.2'
+versionsuffix = '-Tensorflow-1.2.1-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', '1.2.1'),
+#   ('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'

l/LAMMPS/LAMMPS-17Jan2018-intel-2017a.eb

@@ -0,0 +1,54 @@
+# IT4Innovations 2017
+
+easyblock = 'CmdCp'
+
+name = 'LAMMPS'
+version = '17Jan2018'
+
+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.kokkos_cuda_mpi.patch',
+#]
+
+dependencies = [
+    ('tbb', '2017.6.196', '', True),
+]
+
+builddependencies = [
+    ('Python', '2.7.13', '-base', True),
+    ('CMake', '3.5.2', '', True)
+]
+
+commands =  "cd src && make yes-kokkos && "
+commands += "make yes-user-phonon && "
+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 && "
+commands += "make -j 16 intel_cpu_intelmpi && mv lmp_intel_cpu_intelmpi lammps"
+
+cmds_map = [('.*', commands)]
+
+files_to_copy = [
+        (['src/lammps'], 'bin'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/lammps'],
+    'dirs': [''],
+}
+
+moduleclass = 'chem'

o/OpenSSL/OpenSSL-1.0.2n.eb

@@ -0,0 +1,19 @@
+name = 'OpenSSL'
+version = '1.0.2n'
+
+homepage = 'http://www.openssl.org/'
+description = """The OpenSSL Project is a collaborative effort to develop a robust, commercial-grade, full-featured,
+ and Open Source toolchain implementing the Secure Sockets Layer (SSL v2/v3) and Transport Layer Security (TLS v1)
+ protocols as well as a full-strength general purpose cryptography library. """
+
+toolchain = {'name': 'dummy', 'version': ''}
+toolchainopts = {'pic': True}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = ['http://www.openssl.org/source/']
+
+dependencies = [('zlib', '1.2.11', '', True)]
+
+#runtest = 'test'
+
+moduleclass = 'system'

t/Tensorflow/Tensorflow-1.2.1-Python-3.6.1.eb

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+easyblock = 'PythonPackage'
+
+name = 'Tensorflow'
+version = '1.2.1'
+
+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'