diff --git a/b/Bazel/Bazel-0.7.0-GCC-6.3.0-2.27.eb b/b/Bazel/Bazel-0.7.0-GCC-6.3.0-2.27.eb new file mode 100644 index 00000000..6b78a052 --- /dev/null +++ b/b/Bazel/Bazel-0.7.0-GCC-6.3.0-2.27.eb @@ -0,0 +1,17 @@ +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' diff --git a/b/Bazel/Bazel-0.7.0-GCC-7.1.0-2.28.eb b/b/Bazel/Bazel-0.7.0-GCC-7.1.0-2.28.eb new file mode 100644 index 00000000..7cf1ce52 --- /dev/null +++ b/b/Bazel/Bazel-0.7.0-GCC-7.1.0-2.28.eb @@ -0,0 +1,17 @@ +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' diff --git a/k/Keras/Keras-2.1.2-Tensorflow-1.6.0rc0-Python-3.6.1.eb b/k/Keras/Keras-2.1.2-Tensorflow-1.6.0rc0-Python-3.6.1.eb new file mode 100644 index 00000000..8df1306e --- /dev/null +++ b/k/Keras/Keras-2.1.2-Tensorflow-1.6.0rc0-Python-3.6.1.eb @@ -0,0 +1,33 @@ +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' diff --git a/l/LAMMPS/LAMMPS-17Jan2018-intel-2017a-MIC-test.eb b/l/LAMMPS/LAMMPS-17Jan2018-intel-2017a-MIC-test.eb new file mode 100644 index 00000000..043778e7 --- /dev/null +++ b/l/LAMMPS/LAMMPS-17Jan2018-intel-2017a-MIC-test.eb @@ -0,0 +1,61 @@ +# 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' diff --git a/l/LAMMPS/LAMMPS-17Jan2018-intel-2017a-MIC.eb b/l/LAMMPS/LAMMPS-17Jan2018-intel-2017a-MIC.eb index 76096066..6c911043 100644 --- a/l/LAMMPS/LAMMPS-17Jan2018-intel-2017a-MIC.eb +++ b/l/LAMMPS/LAMMPS-17Jan2018-intel-2017a-MIC.eb @@ -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' diff --git a/l/LAMMPS/LAMMPS-Makefile.intel_coprocessor.patch b/l/LAMMPS/LAMMPS-Makefile.intel_coprocessor.patch index c26333f6..1ad52312 100644 --- a/l/LAMMPS/LAMMPS-Makefile.intel_coprocessor.patch +++ b/l/LAMMPS/LAMMPS-Makefile.intel_coprocessor.patch @@ -1,21 +1,12 @@ ---- 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 diff --git a/l/LAMMPS/log.lammps b/l/LAMMPS/log.lammps new file mode 100644 index 00000000..e69de29b diff --git a/t/Tensorflow/Tensorflow-1.6.0rc0-Python-3.6.1.eb b/t/Tensorflow/Tensorflow-1.6.0rc0-Python-3.6.1.eb new file mode 100644 index 00000000..5ad4cac8 --- /dev/null +++ b/t/Tensorflow/Tensorflow-1.6.0rc0-Python-3.6.1.eb @@ -0,0 +1,33 @@ +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'