Commit ccae3697 authored by Lukáš Krupčík's avatar Lukáš Krupčík

new file: c/Cython/Cython-0.29.14-Py-2.7.eb

	new file:   h/HDF5/HDF5-1.10.6-intel-2020a.eb
	new file:   h/h5py/h5py-2.10.0-intel-2020a-Py-2.7.eb
	new file:   h/h5py/h5py-2.10.0-intel-2020a-Py-3.7.eb
	new file:   m/mpi4py/mpi4py-3.0.0-intel-2020a-Py-2.7.eb
	new file:   m/mpi4py/mpi4py-3.0.1-intel-2020a-Py-3.7.eb
	new file:   p/pkgconfig/pkgconfig-1.5.1-intel-2020a-Py-2.7.eb
	new file:   p/pkgconfig/pkgconfig-1.5.1-intel-2020a-Py-3.7.eb
	new file:   q/QMCPACK/QMCPACK-3.9.1-intel-2020a.eb
parent 120bf15e
Pipeline #10599 passed with stage
in 14 seconds
# IT4Innovations 2020
easyblock = 'PythonPackage'
name = 'Cython'
version = '0.29.14'
homepage = 'https://pypi.python.org/pypi/Cython/'
description = """The Cython language makes writing C extensions for the Python language as easy as Python itself.
Cython is a source code translator based on the well-known Pyrex, but supports more cutting edge functionality and optimizations."""
toolchain = {'name': 'Py', 'version': '2.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
sanity_check_paths = {
'files': ['bin/cygdb', 'bin/cython', 'bin/cythonize'],
'dirs': ['bin', 'lib']
}
moduleclass = 'lang'
# IT4Innovations 2020
name = 'HDF5'
version = '1.10.6'
homepage = 'http://www.hdfgroup.org/HDF5/'
description = """HDF5 is a unique technology suite that makes possible the management of
extremely large and local_complex data collections."""
toolchain = {'name': 'intel', 'version': '2020a'}
toolchainopts = {'pic': True, 'usempi': True}
source_urls = [
'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
sources = [SOURCELOWER_TAR_GZ]
dependencies = [
('zlib', '1.2.11', '', True),
('Szip', '2.1', '', True),
]
moduleclass = 'data'
# IT4Innovations 2020
easyblock = 'PythonPackage'
name = 'h5py'
version = '2.10.0'
versionsuffix = '-Py-2.7'
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': 'intel', 'version': '2020a'}
toolchainopts = {'usempi': True}
source_urls = ['https://files.pythonhosted.org/packages/5f/97/a58afbcf40e8abecededd9512978b4e4915374e5b80049af082f49cebe9a/']
sources = ['h5py-2.10.0.tar.gz']
dependencies = [
('HDF5', '1.10.6'),
('numpy', '1.16.3', '-Py-2.7', True),
('mpi4py', '3.0.0', '-Py-2.7'), # required for MPI support
('six', '1.12.0', '-Py-2.7', True),
('pkgconfig', '1.5.1', '-Py-2.7'),
('Cython', '0.29.14', '-Py-2.7', True),
]
prebuildopts = 'python setup.py configure --mpi --hdf5=$EBROOTHDF5 && '
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/h5py-2.10.0-py2.7-linux-x86_64.egg'],
}
moduleclass = 'python'
# IT4Innovations 2020
easyblock = 'PythonPackage'
name = 'h5py'
version = '2.10.0'
versionsuffix = '-Py-3.7'
homepage = 'http://www.h5py.org/'
description = """HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library,
version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous
amounts of data."""
toolchain = {'name': 'intel', 'version': '2020a'}
toolchainopts = {'usempi': True}
source_urls = ['https://files.pythonhosted.org/packages/5f/97/a58afbcf40e8abecededd9512978b4e4915374e5b80049af082f49cebe9a/']
sources = ['h5py-2.10.0.tar.gz']
dependencies = [
('HDF5', '1.10.6'),
('numpy', '1.18.1', '-Py-3.7', True),
('mpi4py', '3.0.1', '-Py-3.7'), # required for MPI support
('six', '1.14.0', '-Py-3.7', True),
('pkgconfig', '1.5.1', '-Py-3.7'),
('Cython', '0.29.14', '-Py-3.7', True),
]
prebuildopts = 'python setup.py configure --mpi --hdf5=$EBROOTHDF5 && '
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.7/site-packages/h5py-2.10.0-py3.7-linux-x86_64.egg'],
}
moduleclass = 'python'
# IT4Innovations 2020
easyblock = 'PythonPackage'
name = 'mpi4py'
version = '3.0.0'
versionsuffix = '-Py-2.7'
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': 'intel', 'version': '2020a'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('Py', '2.7', '', True),
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/mpi4py'],
}
moduleclass = 'python'
# IT4Innovations 2020
easyblock = 'PythonPackage'
name = 'mpi4py'
version = '3.0.1'
versionsuffix = '-Py-3.7'
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': 'intel', 'version': '2020a'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('Py', '3.7', '', True),
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.7/site-packages/mpi4py'],
}
moduleclass = 'python'
# IT4Innovations 2020
easyblock = 'PythonPackage'
name = 'pkgconfig'
version = '1.5.1'
versionsuffix = '-Py-2.7'
homepage = 'http://github.com/matze/pkgconfig'
description = """pkgconfig is a Python module to interface with the pkg-config command line tool"""
toolchain = {'name': 'intel', 'version': '2020a'}
toolchainopts = {'usempi': True}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('Py', '2.7', '', True),
('pkg-config', '0.29.2', '', True),
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python2.7/site-packages/'],
}
moduleclass = 'devel'
# IT4Innovations 2020
easyblock = 'PythonPackage'
name = 'pkgconfig'
version = '1.5.1'
versionsuffix = '-Py-3.7'
homepage = 'http://github.com/matze/pkgconfig'
description = """pkgconfig is a Python module to interface with the pkg-config command line tool"""
toolchain = {'name': 'intel', 'version': '2020a'}
toolchainopts = {'usempi': True}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('Py', '3.7', '', True),
('pkg-config', '0.29.2', '', True),
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.7/site-packages/'],
}
moduleclass = 'devel'
# IT4Innovations 2020
easyblock = 'CMakeMake'
name = 'QMCPACK'
version = '3.9.1'
homepage = "https://qmcpack.org/"
description = """QMCPACK, is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code. Its main applications are electronic structure calculations of molecular, quasi-2D and solid-state systems. Variational Monte Carlo (VMC), diffusion Monte Carlo (DMC) and a number of other advanced QMC algorithms are implemented. Orbital space auxiliary field QMC (AFQMC) has recently been added. By directly solving the Schrodinger equation, QMC methods offer greater accuracy than methods such as density functional theory, but at a trade-off of much greater local_computational expense.
"""
toolchain = {'name': 'intel', 'version': '2020a'}
toolchainopts = {'opt': True, 'pic': True, 'usempi': True}
source_urls = ['https://github.com/QMCPACK/qmcpack/archive/']
sources = ['v%(version)s.tar.gz']
dependencies = [
('CMake', '3.16.2', '', True),
('libxml2', '2.9.9', '', True),
('Boost', '1.72.0'),
('HDF5', '1.10.6'),
('h5py', '2.10.0', '-Py-3.7'),
]
separate_build_dir = True
configopts = ' -DENABLE_SOA=1 '
#preinstallopts = [
# #'cp %(builddir)s/easybuild_obj/ %(installdir)s/build -R',
# 'cd %(builddir)s/easybuild_obj/ && ',
# 'ctest -R deterministic -LE unstable && ',
# 'ctest -R short -LE unstable && '
#]
sanity_check_paths = {
'files': ['bin/qmcpack'],
'dirs': ['bin'],
}
moduleclass = 'phys'
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