From 8eb4dc67cffc01f6d161d1e1f487484987ec7a4a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Mon, 27 May 2019 09:17:30 +0200 Subject: [PATCH] new file: d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7-test.eb new file: d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7.eb new file: h/h5py/h5py-2.9.0-foss-2019a.eb new file: t/Tensorflow/TensorFlow-1.13.1-foss-2019a-Python-3.7.2-salomon.eb --- d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7-test.eb | 41 ++++++ d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7.eb | 29 +++++ h/h5py/h5py-2.9.0-foss-2019a.eb | 33 +++++ ...-1.13.1-foss-2019a-Python-3.7.2-salomon.eb | 119 ++++++++++++++++++ 4 files changed, 222 insertions(+) create mode 100644 d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7-test.eb create mode 100644 d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7.eb create mode 100644 h/h5py/h5py-2.9.0-foss-2019a.eb create mode 100644 t/Tensorflow/TensorFlow-1.13.1-foss-2019a-Python-3.7.2-salomon.eb diff --git a/d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7-test.eb b/d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7-test.eb new file mode 100644 index 00000000..b695fa7e --- /dev/null +++ b/d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7-test.eb @@ -0,0 +1,41 @@ +# IT4Innovations 2019 + +easyblock = 'ConfigureMake' + +name = 'DIRAC' +version = '18.0' +versionsuffix = '-Py-2.7-test' + +homepage = 'http://diracprogram.org/' +description = """The DIRAC program computes molecular properties using relativistic quantum chemical methods.""" + +toolchain = {'name': 'intel', 'version': '2017c'} +toolchainopts = {'usempi': True} + +# requires registration/license to download, http://dirac.chem.sdu.dk/DIRAC14/ +sources = ['%(name)s-%(version)s-Source.tar'] + +dependencies = [ + ('zlib', '1.2.11', '', True), + ('Boost', '1.68.0', '-Py-2.7'), + ('Eigen', '3.3.7', '', True), + ('Py', '2.7', '', True) +] + +builddependencies = [ + ('CMake', '3.14.1', '', True) +] + +skipsteps = ['configure'] + +prebuildopts = './setup --fc=mpiifort --mpi --cc=mpiicc --cxx=mpicxx --prefix=/apps/all/DIRAC/%(version)s-intel-2017c-Py-2.7 && ' +prebuildopts += 'cd build && ' +preinstallopts = 'cd build && ' +preinstallopts += 'make install && ' + +sanity_check_paths = { + 'files': [], + 'dirs': ['bin'], +} + +moduleclass = 'chem' diff --git a/d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7.eb b/d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7.eb new file mode 100644 index 00000000..b060f341 --- /dev/null +++ b/d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7.eb @@ -0,0 +1,29 @@ +# IT4Innovations 2019 + +name = 'DIRAC' +version = '18.0' +versionsuffix = '-Py-2.7' + +homepage = 'http://diracprogram.org/' +description = """The DIRAC program computes molecular properties using relativistic quantum chemical methods.""" + +toolchain = {'name': 'intel', 'version': '2017c'} +toolchainopts = {'usempi': True} + +# requires registration/license to download, http://dirac.chem.sdu.dk/DIRAC14/ +sources = ['%(name)s-%(version)s-Source.tar'] + +dependencies = [ + ('zlib', '1.2.11', '', True), + ('Boost', '1.68.0', versionsuffix), + ('Eigen', '3.3.7', '', True), + ('Py', '2.7', '', True) +] + +builddependencies = [ + ('CMake', '3.14.1', '', True) +] + +runtest = True + +moduleclass = 'chem' diff --git a/h/h5py/h5py-2.9.0-foss-2019a.eb b/h/h5py/h5py-2.9.0-foss-2019a.eb new file mode 100644 index 00000000..ab420cd6 --- /dev/null +++ b/h/h5py/h5py-2.9.0-foss-2019a.eb @@ -0,0 +1,33 @@ +easyblock = 'PythonPackage' + +name = 'h5py' +version = '2.9.0' + +homepage = 'http://www.h5py.org/' +description = """HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library, + version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous + amounts of data.""" + +toolchain = {'name': 'foss', 'version': '2019a'} +toolchainopts = {'usempi': True} + +source_urls = [PYPI_SOURCE] +sources = [SOURCE_TAR_GZ] +checksums = ['9d41ca62daf36d6b6515ab8765e4c8c4388ee18e2a665701fef2b41563821002'] + +multi_deps = {'Python': ['3.7.2', '2.7.15']} + +builddependencies = [('pkgconfig', '1.5.1', '-python')] + +dependencies = [ + ('Python', '3.7.2'), + ('HDF5', '1.10.5'), +] + +use_pip = False +download_dep_fail = True + +# to really use mpi enabled hdf5 we now seem to need a configure step, which is the reason we can't use pip +prebuildopts = ' python setup.py configure --mpi --hdf5=$EBROOTHDF5 && ' + +moduleclass = 'data' diff --git a/t/Tensorflow/TensorFlow-1.13.1-foss-2019a-Python-3.7.2-salomon.eb b/t/Tensorflow/TensorFlow-1.13.1-foss-2019a-Python-3.7.2-salomon.eb new file mode 100644 index 00000000..a7892eed --- /dev/null +++ b/t/Tensorflow/TensorFlow-1.13.1-foss-2019a-Python-3.7.2-salomon.eb @@ -0,0 +1,119 @@ +easyblock = 'PythonBundle' + +name = 'TensorFlow' +version = '1.13.1' +versionsuffix = '-Python-%(pyver)s' + +homepage = 'https://www.tensorflow.org/' +description = "An open-source software library for Machine Intelligence" + +toolchain = {'name': 'foss', 'version': '2019a'} +toolchainopts = {'usempi': True} + +builddependencies = [ + # must be Bazel <= 0.21, and Bazel 0.21.0 fails to install... + ('Bazel', '0.20.0'), + ('protobuf', '3.6.1.2'), +] + +dependencies = [ + ('Python', '3.7.2'), +# ('SciPy-bundle', '2019.03'), + ('h5py', '2.9.0'), +] + +use_pip = True + +exts_list = [ + ('protobuf-python', '3.6.1', { + 'source_urls': ['https://github.com/google/protobuf/releases/download/v%(version)s/'], + 'source_tmpl': 'protobuf-python-%(version)s.tar.gz', + 'patches': ['TensorFlow-1.13.1_protobuf-3.6.1.2_fix_26155.patch'], + 'checksums': [ + '40f009cb0c190816a52fc21d45c26558ee7d63c3bd511b326bd85739b2fd99a6', # protobuf-python-3.6.1.tar.gz + # TensorFlow-1.13.1_protobuf-3.6.1.2_fix_26155.patch + 'db514d3698d37e329cecdd2245dcd6ff65f2b739a66730f303e8a9f6c107392b', + ], + 'start_dir': 'python', + 'use_pip': False, + 'modulename': 'google.protobuf', + }), + ('absl-py', '0.7.1', { + 'source_urls': ['https://pypi.python.org/packages/source/a/absl-py'], + 'checksums': ['b943d1c567743ed0455878fcd60bc28ac9fae38d129d1ccfad58079da00b8951'], + 'modulename': 'absl', + }), + ('astor', '0.7.1', { + 'source_urls': ['https://pypi.python.org/packages/source/a/astor'], + 'checksums': ['95c30d87a6c2cf89aa628b87398466840f0ad8652f88eb173125a6df8533fb8d'], + }), + ('gast', '0.2.2', { + 'source_urls': ['https://pypi.python.org/packages/source/g/gast'], + 'checksums': ['fe939df4583692f0512161ec1c880e0a10e71e6a232da045ab8edd3756fbadf0'], + }), + ('grpcio', '1.20.1', { + 'source_urls': ['https://pypi.python.org/packages/source/g/grpcio'], + 'checksums': ['84eb47b1a47e206e78f453fb92a155ed0d18d2ca8747f5c67e4b50b9c37180a7'], + 'modulename': 'grpc', + }), + ('Markdown', '3.1', { + 'source_urls': ['https://pypi.python.org/packages/source/M/Markdown'], + 'checksums': ['fc4a6f69a656b8d858d7503bda633f4dd63c2d70cf80abdc6eafa64c4ae8c250'], + }), + ('tensorboard', version, { + 'source_urls': ['https://pypi.python.org/packages/source/t/tensorboard'], + 'source_tmpl': 'tensorboard-%(version)s-py3-none-any.whl', + 'checksums': ['b664fe7772be5670d8b04200342e681af7795a12cd752709aed565c06c0cc196'], + 'unpack_sources': False, + }), + ('termcolor', '1.1.0', { + 'source_urls': ['https://pypi.python.org/packages/source/t/termcolor'], + 'checksums': ['1d6d69ce66211143803fbc56652b41d73b4a400a2891d7bf7a1cdf4c02de613b'], + }), + ('Werkzeug', '0.15.2', { + 'source_urls': ['https://pypi.python.org/packages/source/W/Werkzeug'], + 'checksums': ['0a73e8bb2ff2feecfc5d56e6f458f5b99290ef34f565ffb2665801ff7de6af7a'], + }), + ('Keras-Applications', '1.0.7', { + 'source_urls': ['https://pypi.python.org/packages/source/K/Keras-Applications'], + 'source_tmpl': 'Keras_Applications-%(version)s.tar.gz', + 'checksums': ['60607b2b98868983e5153bf1cc6aa468ba73adc93bc977a90edaa4bc595e69fa'], + 'modulename': 'keras_applications', + }), + ('Keras-Preprocessing', '1.0.9', { + 'source_urls': ['https://pypi.python.org/packages/source/K/Keras-Preprocessing'], + 'source_tmpl': 'Keras_Preprocessing-%(version)s.tar.gz', + 'checksums': ['5e3700117981c2db762e512ed6586638124fac5842170701628088a11aeb51ac'], + 'modulename': 'keras_preprocessing', + }), + ('tensorflow-estimator', '1.13.0', { + 'source_urls': ['https://pypi.python.org/packages/source/t/tensorflow-estimator'], + 'source_tmpl': 'tensorflow_estimator-1.13.0-py2.py3-none-any.whl', + 'checksums': ['7cfdaa3e83e3532f31713713feb98be7ea9f3065722be4267e49b6c301271419'], + 'unpack_sources': False, + }), + (name, version, { + 'source_urls': ['https://github.com/tensorflow/tensorflow/archive/'], + 'source_tmpl': 'v%(version)s.tar.gz', + 'patches': [ + 'TensorFlow-1.11.0_swig-env.patch', + 'TensorFlow-1.11.0_remove-msse-hardcoding.patch', + 'TensorFlow-1.13.1_lrt-flag.patch', + 'TensorFlow-1.13.1_remove_usrbin_from_linker_bin_path_flag.patch', + 'TensorFlow-1.13.1_fix_protobuf_problem.patch', + ], + 'checksums': [ + '7cd19978e6bc7edc2c847bce19f95515a742b34ea5e28e4389dade35348f58ed', # v1.13.1.tar.gz + 'aa53c7f6d42b4a9e91e0ba639d79f69a7db3c0a88c3b8e43d332479b6368391a', # TensorFlow-1.11.0_swig-env.patch + # TensorFlow-1.11.0_remove-msse-hardcoding.patch + 'a0f00ee4d03bb4fd3a645ee06045cedaf97d0b85675ec35187e9dd7e479d7bb6', + 'b388be35f2581786bcd533b1bfa375165d7f35e38a3aab74570019312816bf1b', # TensorFlow-1.13.1_lrt-flag.patch + # TensorFlow-1.13.1_remove_usrbin_from_linker_bin_path_flag.patch + 'e6122f34557fbe9e705ce1999403053b0ac4bdd058e4a31a182a16446c87bdb3', + # TensorFlow-1.13.1_fix_protobuf_problem.patch + 'd2fab1497078a2980a68adeea4d0f8719be5bef03741ea4775163745a1e52d40', + ], + }), +] + +moduleclass = 'lib'