Libint-cp2k: adjust build procedure (#4904)

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SY Wang 2026-03-04 21:18:46 +08:00 committed by GitHub
parent dac0cef031
commit 7eec016f8b
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2 changed files with 4 additions and 2 deletions

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@ -9,7 +9,8 @@ RUN apt-get install -qq --no-install-recommends \
libgmp-dev \
libboost-dev \
make \
wget
wget \
xz-utils
WORKDIR /opt
COPY ./build_bundles.sh .

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@ -32,7 +32,8 @@ for lmax in 4 5 6 7; do
-DLIBINT2_ENABLE_FORTRAN=ON \
-DLIBINT2_ENABLE_UNROLLING=0 &> cmake.log
make export -j 32 &> build.log
cp -v ./libint-2.13.1-post999.tgz "/opt/libint-bundles/libint-v${libint_ver}-cp2k-lmax-${lmax}.tgz"
mv -f ./libint-2.13.1-post999 ./libint-v${libint_ver}-cp2k-lmax-${lmax}
tar -cJf "/opt/libint-bundles/libint-v${libint_ver}-cp2k-lmax-${lmax}.tar.xz" ./libint-v${libint_ver}-cp2k-lmax-${lmax}
cd ..
done