diff --git a/b/Bazel/Bazel-0.5.4-GCC-7.1.0-2.28.eb b/b/Bazel/Bazel-0.5.4-GCC-7.1.0-2.28.eb new file mode 100644 index 00000000..8b4a8bc0 --- /dev/null +++ b/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' diff --git a/b/Bazel/CROSSTOOL.patch b/b/Bazel/CROSSTOOL.patch index 08d308e1..6e91554c 100644 --- a/b/Bazel/CROSSTOOL.patch +++ b/b/Bazel/CROSSTOOL.patch @@ -3,7 +3,7 @@ @@ -100,34 +100,34 @@ target_system_name: "local" toolchain_identifier: "local_linux" - + - tool_path { name: "ar" path: "/usr/bin/ar" } - tool_path { name: "compat-ld" path: "/usr/bin/ld" } - tool_path { name: "cpp" path: "/usr/bin/cpp" } @@ -19,7 +19,7 @@ - linker_flag: "-B/usr/bin/" + linker_flag: "-lstdc++, -W1" + linker_flag: "-B/apps/all/binutils/2.28-GCCcore-7.1.0/bin" - + # TODO(bazel-team): In theory, the path here ought to exactly match the path # used by gcc. That works because bazel currently doesn't track files at # absolute locations and has no remote execution, yet. However, this will need @@ -32,12 +32,12 @@ + cxx_builtin_include_directory: "/apps/all/GCCcore/7.1.0/lib/gcc/x86_64-pc-linux-gnu/7.1.0/include-fixed/" + cxx_builtin_include_directory: "/apps/all/GCCcore/7.1.0/include/c++/7.1.0" + tool_path { name: "gcov" path: "/apps/all/GCCcore/7.1.0/bin/gcov" } - + # C(++) compiles invoke the compiler (as that is the one knowing where # to find libraries), but we provide LD so other rules can invoke the linker. - tool_path { name: "ld" path: "/usr/bin/ld" } + tool_path { name: "ld" path: "/apps/all/binutils/2.28-GCCcore-7.1.0/bin/ld" } - + - tool_path { name: "nm" path: "/usr/bin/nm" } - tool_path { name: "objcopy" path: "/usr/bin/objcopy" } + tool_path { name: "nm" path: "/apps/all/binutils/2.28-GCCcore-7.1.0/bin/nm" } @@ -48,6 +48,6 @@ - tool_path { name: "strip" path: "/usr/bin/strip" } + tool_path { name: "objdump" path: "/apps/all/binutils/2.28-GCCcore-7.1.0/bin/objdump" } + tool_path { name: "strip" path: "/apps/all/binutils/2.28-GCCcore-7.1.0/bin/strip" } - + # Anticipated future default. unfiltered_cxx_flag: "-no-canonical-prefixes" diff --git a/k/Keras/Keras-2.1.2-Tensorflow-1.2.1-Python-3.6.1.eb b/k/Keras/Keras-2.1.2-Tensorflow-1.2.1-Python-3.6.1.eb new file mode 100644 index 00000000..53b1c2cb --- /dev/null +++ b/k/Keras/Keras-2.1.2-Tensorflow-1.2.1-Python-3.6.1.eb @@ -0,0 +1,33 @@ +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' diff --git a/l/LAMMPS/LAMMPS-17Jan2018-intel-2017a.eb b/l/LAMMPS/LAMMPS-17Jan2018-intel-2017a.eb new file mode 100644 index 00000000..b30b0b33 --- /dev/null +++ b/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' diff --git a/o/OpenSSL/OpenSSL-1.0.2n.eb b/o/OpenSSL/OpenSSL-1.0.2n.eb new file mode 100644 index 00000000..d882d8b6 --- /dev/null +++ b/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' diff --git a/t/Tensorflow/Tensorflow-1.2.1-Python-3.6.1.eb b/t/Tensorflow/Tensorflow-1.2.1-Python-3.6.1.eb new file mode 100644 index 00000000..ef7c6f9a --- /dev/null +++ b/t/Tensorflow/Tensorflow-1.2.1-Python-3.6.1.eb @@ -0,0 +1,33 @@ +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'