new file: h/Hypre/Hypre-2.18.2-intel-2020a.eb

new file:   n/numba/numba-0.48.0-Py-3.7.eb
	modified:   p/PETSc/PETSc-3.12.4-intel-2020a.eb
	new file:   p/petsc4py/petsc4py-3.12.0-Py-3.7.eb
	new file:   p/pybind11/pybind11-2.4.3-Py-3.7.eb
	new file:   s/SLEPc/SLEPc-3.12.2-intel-2020a.eb
	new file:   s/scipy/scipy-1.4.1-Py-3.7.eb
	modified:   s/slepc4py/slepc4py-3.12.0-Py-3.7.eb
This commit is contained in:
Lukáš Krupčík 2020-03-20 07:49:20 +01:00
parent 65d83d94c2
commit 09acf73cad
8 changed files with 182 additions and 5 deletions

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@ -0,0 +1,20 @@
# IT4Innovations 2020
name = 'Hypre'
version = '2.18.2'
homepage = 'https://computation.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods'
description = """Hypre is a library for solving large, sparse linear systems of equations on massively
parallel computers. The problems of interest arise in the simulation codes being developed at LLNL
and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences."""
toolchain = {'name': 'intel', 'version': '2020a'}
toolchainopts = {'pic': True}
source_urls = ['https://github.com/hypre-space/hypre/archive/']
sources = ['v%(version)s.tar.gz']
checksums = ['28007b5b584eaf9397f933032d8367788707a2d356d78e47b99e551ab10cc76a']
start_dir = 'src'
moduleclass = 'numlib'

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@ -0,0 +1,51 @@
# IT4Innovations 2020
easyblock = 'PythonBundle'
name = 'numba'
version = '0.48.0'
homepage = 'https://numba.pydata.org/'
description = """Numba is an Open Source NumPy-aware optimizing compiler for
Python sponsored by Continuum Analytics, Inc. It uses the remarkable LLVM
compiler infrastructure to compile Python syntax to machine code."""
toolchain = {'name': 'Py', 'version': '3.7'}
toolchainopts = {'pic': True}
dependencies = [
('numpy', '1.8.1'),
('scipy', '1.4.1'),
('LLVM', '8.0.1'),
]
use_pip = True
sanity_pip_check = True
exts_default_options = {'source_urls': [PYPI_SOURCE]}
exts_list = [
('llvmlite', '0.31.0', {
'patches': ['llvmlite-0.31.0_fix-ffi-Makefile.patch'],
'preinstallopts': "export LLVM_CONFIG=${EBROOTLLVM}/bin/llvm-config && ",
'checksums': [
'22ab2b9d7ec79fab66ac8b3d2133347de86addc2e2df1b3793e523ac84baa3c8', # llvmlite-0.31.0.tar.gz
# llvmlite-0.31.0_fix-ffi-Makefile.patch
'672aba7b753dcfe5cb07c731bf1ec8bde1de148d4e0e2d10f6be81fb17f34bbc',
],
}),
(name, version, {
'checksums': ['c0703df0a0ea2e29fbef7937d9849cc4734253066cb5820c5d6e0851876e3b0a'],
}),
]
fix_python_shebang_for = ['bin/*']
sanity_check_paths = {
'files': ['bin/numba', 'bin/pycc'],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}
sanity_check_commands = ["numba --help"]
moduleclass = 'lang'

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@ -24,7 +24,7 @@ checksums = [
'64cf9d5008d5e92117e65bdec5316d991b6a6b8c8ecf7ea46eb790a498266297', # PETSc_ranlib-fix.patch
]
builddependencies = [('CMake', '3.16.2')]
builddependencies = [('CMake', '3.16.2', '', True)]
dependencies = [
('Boost', '1.72.0'),

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@ -0,0 +1,29 @@
# IT4Innovations 2020
easyblock = "PythonPackage"
name = "petsc4py"
version = "3.12.0"
homepage = 'https://code.google.com/p/petsc4py/'
description = """petsc4py are Python bindings for PETSc, the Portable, Extensible Toolchain for Scientific Computation."""
toolchain = {'name': 'Py', 'version': '3.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
dependencies = [
('PETSc', '3.12.4', '', ('intel', '2020a')),
('numpy', '1.18.1'),
]
sanity_check_commands = ["python -c 'from petsc4py import PETSc'"]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.7/site-packages/%(name)s']
}
moduleclass = 'tools'

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@ -0,0 +1,20 @@
# IT4Innovations 2020
easyblock = "PythonPackage"
name = 'pybind11'
version = '2.4.3'
homepage = 'https://pypi.python.org/pypi/pybind11'
description = 'pybind11 is a lightweight header-only library that exposes C++ types in Python and vice versa, mainly to create Python bindings of existing C++ code.'
toolchain = {'name': 'Py', 'version': '3.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
sanity_check_paths = {
'dirs': [],
'files': ['lib/python3.7/site-packages/%(name)s-%(version)s-py3.7.egg'],
}
moduleclass = 'python'

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@ -0,0 +1,23 @@
# IT4Innovations 2020
name = 'SLEPc'
version = '3.12.2'
homepage = 'https://slepc.upv.es/'
description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for
either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
toolchain = {'name': 'intel', 'version': '2020a'}
toolchainopts = {'usempi': True, 'openmp': True}
source_urls = ['https://slepc.upv.es/download/distrib']
sources = [SOURCELOWER_TAR_GZ]
checksums = ['a586ce572a928ed87f04961850992a9b8e741677397cbaa3fb028323eddf4598']
dependencies = [('PETSc', '3.12.4')]
petsc_arch = 'installed-arch-linux2-c-opt'
moduleclass = 'numlib'

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@ -0,0 +1,33 @@
# IT4Innovations 2020
easyblock = 'PythonPackage'
name = 'scipy'
version = '1.4.1'
homepage = 'http://scipy.org'
description = """SciPy (pronounced 'Sigh Pie') is open-source software for mathematics, science, and engineering.
It includes modules for statistics, optimization, integration, linear algebra, Fourier transforms, signal and
image processing, ODE solvers, and more."""
toolchain = {'name': 'Py', 'version': '3.7'}
toolchainopts = {'pic': True}
source_urls = [PYPI_SOURCE]
sources = [SOURCELOWER_TAR_GZ]
dependencies = [
('numpy', '1.18.1'),
('pybind11', '2.4.3'),
('mkl', '2019.5.281', '', True),
]
prebuildopts = 'unset LDFLAGS && '
sanity_check_paths = {'files': [], 'dirs': [
'lib/python3.7/site-packages/%(name)s-%(version)s-py3.7-linux-x86_64.egg/scipy'], }
sanity_check_commands = [
('python', '-c "import scipy; assert(scipy.__version__ == \'%(version)s\')"')]
moduleclass = 'python'

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@ -12,13 +12,14 @@ toolchain = {'name': 'Py', 'version': '3.7'}
source_urls = [PYPI_SOURCE]
sources = [SOURCE_TAR_GZ]
#dependencies = [
# ('MarkupSafe', '1.0'),
#]
dependencies = [
('SLEPc', '3.12.2', '', ('intel', '2020a')),
('petsc4py', '3.12.0'),
]
sanity_check_paths = {
'files': [],
'dirs': ['lib/python3.7/site-packages/%(name)s-%(version)s-py3.7.egg'],
'dirs': ['lib/python3.7/site-packages/%(name)s'],
}
moduleclass = 'python'