[SciPy-bundle] [package list]

SciPy-bundle/1.14.1-1.26.4-cpeAMD-24.03 (SciPy-bundle-1.14.1-1.26.4-cpeAMD-24.03.eb)

Install with the EasyBuild-user module:

eb SciPy-bundle-1.14.1-1.26.4-cpeAMD-24.03.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider SciPy-bundle/1.14.1-1.26.4-cpeAMD-24.03.

EasyConfig:

easyblock = 'PythonBundle'

name = 'SciPy-bundle'
version = '1.14.1-1.26.4'

homepage = 'http://www.scipy.org'

whatis = [
    'Description: SciPy-bundle bundles NumPy and SciPy and their dependencies'
]

description = """
This bundle provides NumPy and Scipy and some necessary dependencies,
compiled with the AMD compiler, so it uses the AMD clang OpenMP runtime
rather than the GNU OpenMP runtime that is used by the regular NumPy
in the Cray Python distribution. It is meant to work with other packages
compiled with the AMD clang compilers to avoid OpenMP runtime conflicts.
"""

toolchain = {'name': 'cpeAMD', 'version': '24.03'}

builddependencies = [
    ('cray-python', EXTERNAL_MODULE),
    ('buildtools-python', '%(toolchain_version)s', '-cray-python%(pyshortver)s', True),
    ('buildtools', '%(toolchain_version)s', '', True),
    ('Cython', '3.0.10'),
    ('pybind11', '2.12.0'),
]

dependencies = [
    ('cray-python', EXTERNAL_MODULE),
]

exts_default_options = {
    'source_urls': [PYPI_SOURCE],
    'use_pip': True,
    'sanity_pip_check': False,
}

local_flit_core_version = '3.11.0'
local_pyproject_metadata_version = '0.10.0'
local_meson_python_version = '0.18.0'
local_NumPy_version = '1.26.4'
local_pythran_version = '0.16.1'
local_SciPy_version = '1.14.1'

exts_list = [
#meson-python==0.18.0 pyproject-metadata==0.10.0
    ('flit_core',          local_flit_core_version),
    ('pyproject_metadata', local_pyproject_metadata_version),
    ('meson_python',       local_meson_python_version, {
        'modulename':  'mesonpy', 
        'source_tmpl': f'meson_python-{local_meson_python_version}-py3-none-any.whl',
    }),
#    ('h5py', '3.11.0', {
#        'preinstallopts':  'HDF5_MPI="ON" H5PY_SETUP_REQUIRES=0 CC=cc',
#        'installopts': '--verbose',
#    }),
    ('numpy',              local_NumPy_version, {
        'easyblock':      'PythonPackage',
        'source_urls':    ['https://github.com/numpy/numpy/releases/download/v%(version)s'],
        'sources':        [SOURCELOWER_TAR_GZ],
        'preinstallopts': 'export PKG_CONFIG_PATH=${CRAY_LIBSCI_PREFIX}/lib/pkgconfig:$PKG_CONFIG_PATH && CFLAGS="-fopenmp" FFLAGS="-fopenmp" CC=amdclang CXX=amdclang++',
        'installopts':    '-Csetup-args=-Dblas=sci_mp -Csetup-args=-Dlapack=sci_mp',
        'use_pip':        True,
    }),
    ('pythran',            local_pythran_version),
    ('scipy',              local_SciPy_version, { # Higher versions require meson update
        'easyblock':      'PythonPackage',
        'source_urls':    ['https://github.com/scipy/scipy/releases/download/v%(version)s'],
        'sources':        [SOURCELOWER_TAR_GZ],
        'preinstallopts': 'export PKG_CONFIG_PATH=${CRAY_LIBSCI_PREFIX}/lib/pkgconfig:$PKG_CONFIG_PATH && CFLAGS="-fopenmp" FFLAGS="-fopenmp" FC=amdflang CC=amdclang CXX=amdclang++',
        'installopts':    '-Csetup-args=-Dblas=sci_mp -Csetup-args=-Dlapack=sci_mp -Csetup-args=-Dfortran_std=none -Ccompile-args="-j16"',
        'use_pip':        True,
    }),
]

postinstallcmds = [
    'echo "Executing postinstallcmds from $PWD"',
    'mkdir -p %(installdir)s/share/licenses/flit-core',
    f'cd ../../flit_core/flit_core-{local_flit_core_version} && cp LICENSE README.rst %(installdir)s/share/licenses/flit-core',
    'mkdir -p %(installdir)s/share/licenses/pyproject-metadata',
    f'cd ../../pyproject_metadata/pyproject_metadata-{local_pyproject_metadata_version} && cp LICENSE README.md %(installdir)s/share/licenses/pyproject-metadata',
    'mkdir -p %(installdir)s/share/licenses/NumPy',
    f'cd ../../numpy/numpy-{local_NumPy_version} && cp CITATION.bib INSTALL.rst LICENSES_bundled.txt LICENSE.txt README.md THANKS.txt %(installdir)s/share/licenses/NumPy',
    'mkdir -p %(installdir)s/share/licenses/phytran',
    f'cd ../../pythran/pythran-{local_pythran_version} && cp AUTHORS LICENSE README.rst %(installdir)s/share/licenses/phytran',   
    'mkdir -p %(installdir)s/share/licenses/SciPy',
    f'cd ../../scipy/scipy-{local_SciPy_version} && cp CITATION.bib LICENSES_bundled.txt LICENSE.txt README.rst %(installdir)s/share/licenses/SciPy',
]

moduleclass = 'math'

[SciPy-bundle] [package list]