Commit 5312a529 authored by Lukáš Krupčík's avatar Lukáš Krupčík

modified: c/CP2K/CP2K-5.1-intel-2017a.eb

	modified:   c/CP2K/CP2K-5.1.eb
	modified:   h/horovod/horovod-0.11.3-Py-3.6.eb
	new file:   m/MotionCor2/MotionCor2-1.0.5-CUDA-8.0.44.eb
	new file:   m/mpi4py/mpi4py-3.0.0-Py-3.6.eb
parent ba9e8e90
......@@ -10,7 +10,7 @@ description = """CP2K is a freely available (GPL) program, written in Fortran 95
classical pair and many-body potentials. """
toolchain = {'name': 'intel', 'version': '2017a'}
toolchainopts = {'pic': True}
toolchainopts = {'pic': True, 'openmp': True, 'usempi': True}
sources = [SOURCELOWER_TAR_BZ2]
source_urls = [SOURCEFORGE_SOURCE]
......
......@@ -18,8 +18,8 @@ description = """CP2K is a freely available (GPL) program, written in Fortran 95
toolchain = {'name': 'dummy', 'version': ''}
sources = [SOURCELOWER_TAR_BZ2]
source_urls = [SOURCEFORGE_SOURCE]
source_urls = ['https://github.com/cp2k/cp2k/archive']
sources = ['v%(version)s.tar.gz']
patches = [
'CP2K-2.4.0-fix_compile_date_lastsvn.patch',
......@@ -28,7 +28,7 @@ patches = [
modextrapaths = {'PATH': 'exe/local'}
dependencies = [
('MPICH', '3.2', '-snapshot-20160419-2.25', ('GCC', '5.3.1')),
('MPICH', '3.2.1', '', ('GCC', '6.3.0-2.27')),
('imkl', '2017.1.132', '', ('iimpi', '2017a')),
]
......
......@@ -15,16 +15,19 @@ sources = [SOURCE_TAR_GZ]
dependencies = [
('Keras', '2.1.4', '-Tensorflow-1.6.0rc0-CUDA-9.0.176'),
('OpenMPI', '1.10.7', '', ('GCC', '6.3.0-2.27')),
('NCCL', '2.1.4', '', True)
]
prebuildopts = 'HOROVOD_NCCL_HOME=/apps/all/NCCL/2.1.4 HOROVOD_GPU_ALLREDUCE=NCCL '
modextravars = {
'HOROVOD_NCCL_HOME': '$EBROOTNCCL',
'HOROVOD_NCCL_HOME': '/apps/all/NCCL/2.1.4',
'HOROVOD_GPU_ALLREDUCE': 'NCCL',
}
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.6/site-packages/%(name)s-%(version)s-py3.6-linux-x86_64.egg'],
'dirs': ['lib/python3.6/site-packages'],
}
moduleclass = 'python'
# IT4Innovations 2018
easyblock = "CmdCp"
name = 'MotionCor2'
version = '1.0.5'
versionsuffix = '-CUDA-8.0.44'
homepage = 'http://msg.ucsf.edu/em/software/motioncor2.html'
description = """This program corrects anisotropic image motion
at the single pixel level across the whole frame, suitable for
both single particle and tomographic images."""
toolchain = {'name': 'dummy', 'version': ''}
sources = [SOURCE_TAR_GZ]
dependencies = [
('CUDA', '8.0.44'),
]
commands = "mv MotionCor2_Cuda8.0_v1.0.5 MotionCor2"
cmds_map = [('.*', commands)]
files_to_copy = [
(['MotionCor2'], 'bin'),
]
sanity_check_paths = {
'files': ['bin/MotionCor2'],
'dirs': [],
}
moduleclass = 'phys'
# IT4Innovations 2018
easyblock = 'PythonPackage'
name = 'mpi4py'
version = '3.0.0'
homepage = 'http://mpi4py.scipy.org/docs'
description = """MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for
the Python programming language, allowing any Python program to exploit multiple processors."""
toolchain = {'name': 'Py', 'version': '3.6'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('OpenMPI', '1.10.7', '', ('GCC', '6.3.0-2.27')),
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.6/site-packages/mpi4py'],
}
moduleclass = 'python'
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