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Use numpy build options for CPU optimizations #232

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Use numpy build options for CPU optimizations #232

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def92e9
Use MKL in NumPy and SciPy
AlexKurek Jan 20, 2025
286c23c
Make it less verbose
AlexKurek Jan 23, 2025
7188d88
simpify
AlexKurek Jan 23, 2025
34fc9fe
Use Numpy build options for CPU arch
AlexKurek Jan 23, 2025
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27 changes: 26 additions & 1 deletion singularity/Singularity.intel_mkl
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Original file line number Diff line number Diff line change
Expand Up @@ -209,7 +209,31 @@ EOF
rm -rf datashape-0.5.2/

pip install --upgrade pip wheel Cython
pip install "numpy<2"
if [ $HAS_MKL = true ]; then
wget https://github.com/numpy/numpy/releases/download/v1.26.4/numpy-1.26.4.tar.gz
tar xzf numpy-1.26.4.tar.gz
rm numpy-1.26.4.tar.gz
cd numpy-1.26.4/
if [ $MARCH = 'x86-64' ] && [ $MTUNE = 'generic' ]; then
pip install . -Csetup-args=-Dblas-order=mkl,openblas,blis -Csetup-args=-Dlapack-order=mkl,openblas,lapack
else
pip install . -Csetup-args=-Dcpu-baseline="native" -Csetup-args=-Dcpu-dispatch="none" -Csetup-args=-Dblas-order=mkl,openblas,blis -Csetup-args=-Dlapack-order=mkl,openblas,lapack
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native cannot be used, as these recipes do not "build for local use" as that part of the numpy docs aims for.

fi
cd ..
rm -rf numpy-1.26.4/

wget https://github.com/scipy/scipy/releases/download/v1.15.1/scipy-1.15.1.tar.gz
tar xzf scipy-1.15.1.tar.gz
rm scipy-1.15.1.tar.gz
cd scipy-1.15.1/
pip install . -Csetup-args=-Dblas=mkl-dynamic-lp64-iomp -Csetup-args=-Dlapack=mkl-dynamic-lp64-iomp
cd ..
rm -rf scipy-1.15.1/

export PKG_CONFIG_PATH=$MKLROOT/lib/pkgconfig/
else
pip install "numpy<2"
fi
pip install --no-binary pandas pandas
pip install --no-binary h5py h5py
pip install -r $INSTALLDIR/requirements.txt
Expand Down Expand Up @@ -740,6 +764,7 @@ EOF
echo export MKLROOT=$MKLROOT >> $INSTALLDIR/init.sh
echo export PATH=\$MKLROOT/bin:\$PATH >> $INSTALLDIR/init.sh
echo export LD_LIBRARY_PATH=\$MKLROOT/lib:\$LD_LIBRARY_PATH >> $INSTALLDIR/init.sh
echo export PKG_CONFIG_PATH=\$PKG_CONFIG_PATH >> $INSTALLDIR/init.sh
fi


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264 changes: 0 additions & 264 deletions site.cfg
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