Commit 187a940d authored by Easy Build's avatar Easy Build

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
parent 64a77d19
......@@ -19,10 +19,6 @@ 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),
]
......@@ -33,7 +29,7 @@ builddependencies = [
]
commands = "cd src && make yes-kokkos && "
commands += "make yes-user-phonon && "
commands += "make yes-user-phonon && make yes-misc"
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 && "
......
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'PyDispatcher'
version = '2.0.5'
homepage = 'https://pypi.python.org/pypi/PyDispatcher'
description = 'Multi-producer-multi-consumer signal dispatching mechanism.'
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
options = {'modulename': 'pydispatch'}
sanity_check_paths = {
'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
'dirs': [],
}
moduleclass = 'python'
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'palettable'
version = '3.1.0'
homepage = 'https://pypi.python.org/pypi/palettable'
description = 'Color palettes for Python.'
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
#dependencies = [
# ('MarkupSafe', '1.0'),
#]
sanity_check_paths = {
'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
'dirs': [],
}
moduleclass = 'python'
......@@ -28,6 +28,9 @@ dependencies = [
('sympy', '1.1.1'),
('pandas', '0.22.0'),
('pybtex', '0.21'),
('palettable', '3.1.0'),
('tabulate', '0.8.2'),
('PyDispatcher', '2.0.5'),
]
sanity_check_paths = {
......
# IT4Innovations 2018
easyblock = "PythonPackage"
name = 'tabulate'
version = '0.8.2'
homepage = 'https://pypi.python.org/pypi/tabulate'
description = 'Pretty-print tabular data.'
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
sanity_check_paths = {
'files': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6.egg'],
'dirs': [],
}
moduleclass = 'python'
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