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mirror of https://github.com/triqs/dft_tools synced 2024-07-11 05:43:48 +02:00
dft_tools/Dockerfile
Alexander Hampel 11d394fd5b synchronize dfttools with app4triqs structure
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp
* added global header triqs_dft_tools/triqs_dft_tools.hpp
* python dir based on single cmakelist file
* registered C++ tests for plovasp
* corrected imports for py3 tests for plovasp
* corrected block order in sigma_from_file and srvo3_Gloc
* exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5
* moved vasp converter bash scripts from dir shells to bin dir
2020-06-10 17:45:53 +02:00

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Docker

# See ../triqs/packaging for other options
FROM flatironinstitute/triqs:unstable-ubuntu-clang
ARG APPNAME=triqs_dft_tools
COPY requirements.txt /src/$APPNAME/requirements.txt
RUN pip3 install -r /src/$APPNAME/requirements.txt
COPY --chown=build . $SRC/$APPNAME
WORKDIR $BUILD/$APPNAME
RUN chown build .
USER build
ARG BUILD_DOC=0
RUN cmake $SRC/$APPNAME -DTRIQS_ROOT=${INSTALL} -DBuild_Documentation=${BUILD_DOC} && make -j2
USER root
RUN make install