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modified: l/LAMMPS/LAMMPS-17Jan2018-intel-2017a.eb
new file: p/PyDispatcher/PyDispatcher-2.0.5-Py-3.6.eb new file: p/palettable/palettable-3.1.0-Py-3.6.eb modified: p/pymatgen/pymatgen-Py-3.6.eb new file: t/tabulate/tabulate-0.8.2-Py-3.6.eb
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@ -19,10 +19,6 @@ toolchain = {'name': 'intel', 'version': '2017a'}
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source_urls = ['https://github.com/lammps/lammps/archive']
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source_urls = ['https://github.com/lammps/lammps/archive']
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sources = ['patch_17Jan2018.tar.gz']
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sources = ['patch_17Jan2018.tar.gz']
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#patches = [
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# 'LAMMPS-Makefile.kokkos_cuda_mpi.patch',
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#]
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dependencies = [
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dependencies = [
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('tbb', '2017.6.196', '', True),
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('tbb', '2017.6.196', '', True),
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]
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]
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@ -33,7 +29,7 @@ builddependencies = [
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]
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]
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commands = "cd src && make yes-kokkos && "
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commands = "cd src && make yes-kokkos && "
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commands += "make yes-user-phonon && "
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commands += "make yes-user-phonon && make yes-misc"
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commands += "make lib-reax args='-m ifort' && make yes-reax &&"
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commands += "make lib-reax args='-m ifort' && make yes-reax &&"
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commands += "make yes-kspace && make yes-manybody && make yes-molecule && "
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commands += "make yes-kspace && make yes-manybody && make yes-molecule && "
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commands += "make yes-qeq && make yes-rigid && make yes-user-misc && "
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commands += "make yes-qeq && make yes-rigid && make yes-user-misc && "
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p/PyDispatcher/PyDispatcher-2.0.5-Py-3.6.eb
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p/PyDispatcher/PyDispatcher-2.0.5-Py-3.6.eb
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@ -0,0 +1,22 @@
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# IT4Innovations 2018
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easyblock = "PythonPackage"
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name = 'PyDispatcher'
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version = '2.0.5'
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homepage = 'https://pypi.python.org/pypi/PyDispatcher'
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description = 'Multi-producer-multi-consumer signal dispatching mechanism.'
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toolchain = {'name': 'Py', 'version': '3.6'}
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source_urls = [PYPI_SOURCE]
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sources = [SOURCE_TAR_GZ]
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options = {'modulename': 'pydispatch'}
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sanity_check_paths = {
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'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
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'dirs': [],
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}
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moduleclass = 'python'
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p/palettable/palettable-3.1.0-Py-3.6.eb
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p/palettable/palettable-3.1.0-Py-3.6.eb
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# IT4Innovations 2018
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easyblock = "PythonPackage"
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name = 'palettable'
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version = '3.1.0'
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homepage = 'https://pypi.python.org/pypi/palettable'
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description = 'Color palettes for Python.'
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toolchain = {'name': 'Py', 'version': '3.6'}
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source_urls = [PYPI_SOURCE]
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sources = [SOURCE_TAR_GZ]
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#dependencies = [
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# ('MarkupSafe', '1.0'),
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#]
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sanity_check_paths = {
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'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
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'dirs': [],
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}
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moduleclass = 'python'
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@ -28,6 +28,9 @@ dependencies = [
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('sympy', '1.1.1'),
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('sympy', '1.1.1'),
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('pandas', '0.22.0'),
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('pandas', '0.22.0'),
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('pybtex', '0.21'),
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('pybtex', '0.21'),
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('palettable', '3.1.0'),
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('tabulate', '0.8.2'),
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('PyDispatcher', '2.0.5'),
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]
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]
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sanity_check_paths = {
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sanity_check_paths = {
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t/tabulate/tabulate-0.8.2-Py-3.6.eb
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t/tabulate/tabulate-0.8.2-Py-3.6.eb
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# IT4Innovations 2018
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easyblock = "PythonPackage"
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name = 'tabulate'
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version = '0.8.2'
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homepage = 'https://pypi.python.org/pypi/tabulate'
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description = 'Pretty-print tabular data.'
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toolchain = {'name': 'Py', 'version': '3.6'}
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source_urls = [PYPI_SOURCE]
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sources = [SOURCE_TAR_GZ]
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sanity_check_paths = {
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'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
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'dirs': [],
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}
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moduleclass = 'python'
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