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base repository: TRIQS/solid_dmft
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base: 16038a7655d7ddd4bb93cd5f605671716f80109d
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head repository: TRIQS/solid_dmft
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compare: 341633259a7caa3fcec0a62a4569aacb9e827a2b
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Showing with 3 additions and 4 deletions.
  1. +3 −4 Docker/openmpi_dockerfile
7 changes: 3 additions & 4 deletions Docker/openmpi_dockerfile
Original file line number Diff line number Diff line change
@@ -34,7 +34,6 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
libmkl-dev \
libnfft3-dev \
libomp-${LLVM}-dev \
libomp-dev \
libopenblas-dev \
libopenmpi-dev \
libpmi2-0-dev \
@@ -106,6 +105,9 @@ RUN mkdir -p /src && cd /src \
# && cd .. \
# && rm -rf openmpi-4.1.5.tar.gz openmpi-4.1.5

# install sparse-ir into triqs pythonpath
RUN pip install --target /triqs/lib/python3.10/site-packages sparse-ir[xprec]

ENV PYTHON_VERSION=3.10 \
CC=clang-${LLVM} CXX=clang++-${LLVM} CXXFLAGS="-stdlib=libc++"
RUN update-alternatives --install /usr/bin/clang clang /usr/bin/clang-${LLVM} 60 --slave /usr/bin/clang++ clang++ /usr/bin/clang++-${LLVM} --slave /usr/bin/clang-cpp clang-cpp /usr/bin/clang-cpp-${LLVM}
@@ -225,9 +227,6 @@ RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/hartr
&& cmake ../hartree_fock.src \
&& make -j$NCORES && ctest -j$NCORES && make install

# install sparse-ir into triqs pythonpath
RUN pip install --target /triqs/lib/python3.10/site-packages sparse-ir[xprec]

# download solid_dmft and install
RUN cd /source && git clone -b unstable --depth 1 https://github.com/flatironinstitute/solid_dmft.git solid_dmft.src \
&& mkdir -p solid_dmft.build && cd solid_dmft.build \