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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
This commit is contained in:
Lukáš Krupčík
parent
319874b5ae
commit
8eb4dc67cf
41
d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7-test.eb
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41
d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7-test.eb
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# IT4Innovations 2019
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easyblock = 'ConfigureMake'
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name = 'DIRAC'
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version = '18.0'
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versionsuffix = '-Py-2.7-test'
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homepage = 'http://diracprogram.org/'
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description = """The DIRAC program computes molecular properties using relativistic quantum chemical methods."""
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toolchain = {'name': 'intel', 'version': '2017c'}
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toolchainopts = {'usempi': True}
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# requires registration/license to download, http://dirac.chem.sdu.dk/DIRAC14/
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sources = ['%(name)s-%(version)s-Source.tar']
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dependencies = [
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('zlib', '1.2.11', '', True),
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('Boost', '1.68.0', '-Py-2.7'),
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('Eigen', '3.3.7', '', True),
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('Py', '2.7', '', True)
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]
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builddependencies = [
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('CMake', '3.14.1', '', True)
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]
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skipsteps = ['configure']
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prebuildopts = './setup --fc=mpiifort --mpi --cc=mpiicc --cxx=mpicxx --prefix=/apps/all/DIRAC/%(version)s-intel-2017c-Py-2.7 && '
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prebuildopts += 'cd build && '
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preinstallopts = 'cd build && '
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preinstallopts += 'make install && '
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sanity_check_paths = {
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'files': [],
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'dirs': ['bin'],
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}
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moduleclass = 'chem'
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29
d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7.eb
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29
d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7.eb
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# IT4Innovations 2019
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name = 'DIRAC'
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version = '18.0'
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versionsuffix = '-Py-2.7'
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homepage = 'http://diracprogram.org/'
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description = """The DIRAC program computes molecular properties using relativistic quantum chemical methods."""
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toolchain = {'name': 'intel', 'version': '2017c'}
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toolchainopts = {'usempi': True}
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# requires registration/license to download, http://dirac.chem.sdu.dk/DIRAC14/
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sources = ['%(name)s-%(version)s-Source.tar']
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dependencies = [
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('zlib', '1.2.11', '', True),
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('Boost', '1.68.0', versionsuffix),
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('Eigen', '3.3.7', '', True),
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('Py', '2.7', '', True)
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]
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builddependencies = [
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('CMake', '3.14.1', '', True)
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]
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runtest = True
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moduleclass = 'chem'
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33
h/h5py/h5py-2.9.0-foss-2019a.eb
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h/h5py/h5py-2.9.0-foss-2019a.eb
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easyblock = 'PythonPackage'
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name = 'h5py'
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version = '2.9.0'
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homepage = 'http://www.h5py.org/'
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description = """HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library,
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version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous
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amounts of data."""
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toolchain = {'name': 'foss', 'version': '2019a'}
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toolchainopts = {'usempi': True}
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source_urls = [PYPI_SOURCE]
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sources = [SOURCE_TAR_GZ]
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checksums = ['9d41ca62daf36d6b6515ab8765e4c8c4388ee18e2a665701fef2b41563821002']
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multi_deps = {'Python': ['3.7.2', '2.7.15']}
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builddependencies = [('pkgconfig', '1.5.1', '-python')]
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dependencies = [
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('Python', '3.7.2'),
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('HDF5', '1.10.5'),
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]
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use_pip = False
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download_dep_fail = True
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# to really use mpi enabled hdf5 we now seem to need a configure step, which is the reason we can't use pip
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prebuildopts = ' python setup.py configure --mpi --hdf5=$EBROOTHDF5 && '
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moduleclass = 'data'
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easyblock = 'PythonBundle'
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name = 'TensorFlow'
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version = '1.13.1'
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versionsuffix = '-Python-%(pyver)s'
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homepage = 'https://www.tensorflow.org/'
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description = "An open-source software library for Machine Intelligence"
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toolchain = {'name': 'foss', 'version': '2019a'}
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toolchainopts = {'usempi': True}
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builddependencies = [
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# must be Bazel <= 0.21, and Bazel 0.21.0 fails to install...
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('Bazel', '0.20.0'),
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('protobuf', '3.6.1.2'),
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]
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dependencies = [
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('Python', '3.7.2'),
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# ('SciPy-bundle', '2019.03'),
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('h5py', '2.9.0'),
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]
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use_pip = True
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exts_list = [
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('protobuf-python', '3.6.1', {
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'source_urls': ['https://github.com/google/protobuf/releases/download/v%(version)s/'],
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'source_tmpl': 'protobuf-python-%(version)s.tar.gz',
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'patches': ['TensorFlow-1.13.1_protobuf-3.6.1.2_fix_26155.patch'],
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'checksums': [
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'40f009cb0c190816a52fc21d45c26558ee7d63c3bd511b326bd85739b2fd99a6', # protobuf-python-3.6.1.tar.gz
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# TensorFlow-1.13.1_protobuf-3.6.1.2_fix_26155.patch
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'db514d3698d37e329cecdd2245dcd6ff65f2b739a66730f303e8a9f6c107392b',
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],
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'start_dir': 'python',
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'use_pip': False,
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'modulename': 'google.protobuf',
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}),
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('absl-py', '0.7.1', {
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'source_urls': ['https://pypi.python.org/packages/source/a/absl-py'],
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'checksums': ['b943d1c567743ed0455878fcd60bc28ac9fae38d129d1ccfad58079da00b8951'],
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'modulename': 'absl',
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}),
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('astor', '0.7.1', {
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'source_urls': ['https://pypi.python.org/packages/source/a/astor'],
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'checksums': ['95c30d87a6c2cf89aa628b87398466840f0ad8652f88eb173125a6df8533fb8d'],
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}),
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('gast', '0.2.2', {
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'source_urls': ['https://pypi.python.org/packages/source/g/gast'],
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'checksums': ['fe939df4583692f0512161ec1c880e0a10e71e6a232da045ab8edd3756fbadf0'],
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}),
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('grpcio', '1.20.1', {
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'source_urls': ['https://pypi.python.org/packages/source/g/grpcio'],
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'checksums': ['84eb47b1a47e206e78f453fb92a155ed0d18d2ca8747f5c67e4b50b9c37180a7'],
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'modulename': 'grpc',
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}),
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('Markdown', '3.1', {
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'source_urls': ['https://pypi.python.org/packages/source/M/Markdown'],
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'checksums': ['fc4a6f69a656b8d858d7503bda633f4dd63c2d70cf80abdc6eafa64c4ae8c250'],
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}),
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('tensorboard', version, {
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'source_urls': ['https://pypi.python.org/packages/source/t/tensorboard'],
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'source_tmpl': 'tensorboard-%(version)s-py3-none-any.whl',
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'checksums': ['b664fe7772be5670d8b04200342e681af7795a12cd752709aed565c06c0cc196'],
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'unpack_sources': False,
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}),
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('termcolor', '1.1.0', {
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'source_urls': ['https://pypi.python.org/packages/source/t/termcolor'],
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'checksums': ['1d6d69ce66211143803fbc56652b41d73b4a400a2891d7bf7a1cdf4c02de613b'],
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}),
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('Werkzeug', '0.15.2', {
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'source_urls': ['https://pypi.python.org/packages/source/W/Werkzeug'],
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'checksums': ['0a73e8bb2ff2feecfc5d56e6f458f5b99290ef34f565ffb2665801ff7de6af7a'],
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}),
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('Keras-Applications', '1.0.7', {
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'source_urls': ['https://pypi.python.org/packages/source/K/Keras-Applications'],
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'source_tmpl': 'Keras_Applications-%(version)s.tar.gz',
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'checksums': ['60607b2b98868983e5153bf1cc6aa468ba73adc93bc977a90edaa4bc595e69fa'],
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'modulename': 'keras_applications',
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}),
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('Keras-Preprocessing', '1.0.9', {
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'source_urls': ['https://pypi.python.org/packages/source/K/Keras-Preprocessing'],
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'source_tmpl': 'Keras_Preprocessing-%(version)s.tar.gz',
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'checksums': ['5e3700117981c2db762e512ed6586638124fac5842170701628088a11aeb51ac'],
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'modulename': 'keras_preprocessing',
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}),
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('tensorflow-estimator', '1.13.0', {
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'source_urls': ['https://pypi.python.org/packages/source/t/tensorflow-estimator'],
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'source_tmpl': 'tensorflow_estimator-1.13.0-py2.py3-none-any.whl',
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'checksums': ['7cfdaa3e83e3532f31713713feb98be7ea9f3065722be4267e49b6c301271419'],
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'unpack_sources': False,
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}),
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(name, version, {
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'source_urls': ['https://github.com/tensorflow/tensorflow/archive/'],
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'source_tmpl': 'v%(version)s.tar.gz',
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'patches': [
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'TensorFlow-1.11.0_swig-env.patch',
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'TensorFlow-1.11.0_remove-msse-hardcoding.patch',
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'TensorFlow-1.13.1_lrt-flag.patch',
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'TensorFlow-1.13.1_remove_usrbin_from_linker_bin_path_flag.patch',
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'TensorFlow-1.13.1_fix_protobuf_problem.patch',
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],
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'checksums': [
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'7cd19978e6bc7edc2c847bce19f95515a742b34ea5e28e4389dade35348f58ed', # v1.13.1.tar.gz
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'aa53c7f6d42b4a9e91e0ba639d79f69a7db3c0a88c3b8e43d332479b6368391a', # TensorFlow-1.11.0_swig-env.patch
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# TensorFlow-1.11.0_remove-msse-hardcoding.patch
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'a0f00ee4d03bb4fd3a645ee06045cedaf97d0b85675ec35187e9dd7e479d7bb6',
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'b388be35f2581786bcd533b1bfa375165d7f35e38a3aab74570019312816bf1b', # TensorFlow-1.13.1_lrt-flag.patch
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# TensorFlow-1.13.1_remove_usrbin_from_linker_bin_path_flag.patch
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'e6122f34557fbe9e705ce1999403053b0ac4bdd058e4a31a182a16446c87bdb3',
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# TensorFlow-1.13.1_fix_protobuf_problem.patch
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'd2fab1497078a2980a68adeea4d0f8719be5bef03741ea4775163745a1e52d40',
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],
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}),
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]
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moduleclass = 'lib'
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