SciPy-bundle
License information
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NumPy is covered by a permissive BSD 3-Clause license, a copy of which can be found in the LICENSE.txt file in the NumPy GitHub repository.
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SciPy is also covered by a permissive BSD 3-Clause license, a copy of which can be found in the LICENSE.txt file in the SciPy GitHub repository.
After installing and loading the module, the license information for most packages in
the bundle can also be found in
$EBROOTSCIPYMINBUNDLE/share/licenses.
User-installable modules (and EasyConfigs)
Install with the EasyBuild-user module:
To access module help after installation and get reminded for which stacks and partitions the module is installed, usemodule spider SciPy-bundle/<version>.
EasyConfig:
Technical documentation
SciPy-bundle is modeled after the SciPy-bundle in the EasyBuilders packages. The module combines NumPy and SciPy and some dependencies.
The cpeAMD version is developed specifically for VeloxChem as that package
performs a lot better when compiled with the AMD compilers than when using the GNU compilers.
It is meant to replace the NumPy and SciPy packages from the Cray Python distribution with
AMD-compiled ones as it is not possible to combine packages that use the OpenMP runtime
from different compilers. Note that in general, compiling with the GNU compilers is preferred
as that is also the compiler that is usually used to compile Python.
This module should be used with the greatest care because of this, and also because it is usually a better idea to put Python packages in a container as the continuous loading of packages by Python hurts both Python performance and filesystem performance for other users.
EasyBuild
Version 1.14.1-1.26.4 for cpeAMD 24.03
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Developed by LUST based on the EasyBuilders version.
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This version combines SciPy 1.14 with NumPy 1.26.4.
These version were taken specifically for the compatibility with the VeloxChem package that uses them.