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lines changed Original file line number Diff line number Diff line change @@ -178,10 +178,8 @@ ADD https://api.github.com/repos/deepmodeling/abacus-develop/git/refs/heads/deve
178178RUN export LD_LIBRARY_PATH=${GKLIB_ROOT}/lib:${METIS32_ROOT}/lib:${PARMETIS32_ROOT}/lib:${SUPERLU32_DIST_ROOT}/lib:${PEXSI32_ROOT}/lib:${LD_LIBRARY_PATH} && \
179179 export CPATH=${GKLIB_ROOT}/include:${METIS32_ROOT}/include:${PARMETIS32_ROOT}/include:${SUPERLU32_DIST_ROOT}/include:${PEXSI32_ROOT}/include:${CPATH} && \
180180 export CMAKE_PREFIX_PATH=${PEXSI32_ROOT}:${SUPERLU_DIST32_ROOT}:${PARMETIS32_ROOT}:${METIS32_ROOT}:${GKLIB_ROOT}:${CMAKE_PREFIX_PATH} && \
181- cd /tmp && wget https://github.com/deepmodeling/abacus-develop/archive/refs/tags/v3.9.0.17.zip -O abacus-develop-3.9.0.17.zip && \
182- unzip abacus-develop-3.9.0.17.zip && \
183- cd abacus-develop-3.9.0.17 && \
184- sed -i '3i\#include "source_estate/elecstate_lcao.h"' source/source_lcao/edm.cpp && \
181+ cd /tmp && git clone https://github.com/deepmodeling/abacus-develop.git --depth 1 && \
182+ cd abacus-develop && \
185183 cmake -B build \
186184 -DENABLE_MLALGO=ON \
187185 -DENABLE_PEXSI=ON \
@@ -195,5 +193,9 @@ RUN export LD_LIBRARY_PATH=${GKLIB_ROOT}/lib:${METIS32_ROOT}/lib:${PARMETIS32_RO
195193 rm -rf /tmp/abacus-develop
196194 # -DMKL_SYCL=OFF \
197195 # -DMKL_SYCL_DISTRIBUTED_DFT:BOOL=OFF \
196+ # cd /tmp && wget https://github.com/deepmodeling/abacus-develop/archive/refs/tags/v3.9.0.17.zip -O abacus-develop-3.9.0.17.zip && \
197+ # unzip abacus-develop-3.9.0.17.zip && \
198+ # cd abacus-develop-3.9.0.17 && \
199+ # sed -i '3i\#include "source_estate/elecstate_lcao.h"' source/source_lcao/edm.cpp && \
198200# Default entry
199201CMD ["/bin/bash"]
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