diff --git a/Docker/github_ci_dockerfile b/Docker/github_ci_dockerfile index 4c174c0e..4833d2e8 100644 --- a/Docker/github_ci_dockerfile +++ b/Docker/github_ci_dockerfile @@ -6,7 +6,7 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \ gfortran-12 \ git \ hdf5-tools \ - liblapack-dev \ + liblapack-dev \ libboost-dev \ libfftw3-dev \ libnfft3-dev \ @@ -27,7 +27,7 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \ python3-pip \ python3-sphinx \ python3-nbsphinx \ - python3-skimage \ + python3-skimage \ python3-notebook \ libpython3-dev \ curl \ @@ -43,7 +43,7 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \ apt-get autoremove --purge -y && \ apt-get autoclean -y && \ rm -rf /var/cache/apt/* /var/lib/apt/lists/* - + RUN pip3 install --no-cache-dir \ cython \ decorator \ @@ -53,18 +53,21 @@ RUN pip3 install --no-cache-dir \ mpi4py \ Jinja2 \ Mako \ - ase \ + ase \ tornado \ zmq \ - tk \ - myst_parser \ + tk \ + myst_parser \ sphinx_rtd_theme \ - linkify-it-py \ + linkify-it-py \ Pandoc ENV OMP_NUM_THREADS=1 ENV MKL_NUM_THREADS=1 -ARG NCORES=4 +ENV OMPI_ALLOW_RUN_AS_ROOT=1 +ENV OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 +ENV OMPI_MCA_rmaps_base_oversubscribe="yes" +ARG NCORES=8 # create source dirs RUN cd / && mkdir -p triqs && mkdir -p source @@ -80,40 +83,40 @@ ENV CPATH=/triqs/include:${CPATH} \ CMAKE_PREFIX_PATH=/triqs/share/cmake:${CMAKE_PREFIX_PATH} \ TRIQS_ROOT=/triqs -RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs triqs.src \ - && mkdir -p triqs.build && cd triqs.build \ - && cmake ../triqs.src -DCMAKE_INSTALL_PREFIX=/triqs -DMPIEXEC_PREFLAGS='--allow-run-as-root' \ +RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs \ + && cd triqs && mkdir -p build && cd build \ + && cmake ../ -DCMAKE_INSTALL_PREFIX=/triqs \ && make -j$NCORES && ctest -j$NCORES && make install # dft_tools -RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/dft_tools.git dft_tools.src \ - && mkdir -p dft_tools.build && cd dft_tools.build \ - && cmake ../dft_tools.src -DMPIEXEC_PREFLAGS='--allow-run-as-root' \ - && make -j$NCORES && make test && make install +RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/dft_tools.git \ + && cd dft_tools && mkdir -p build && cd build \ + && cmake ../ \ + && make -j$NCORES && ctest -j$NCORES && make install # cthyb -RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/cthyb.git cthyb.src \ - && mkdir -p cthyb.build && cd cthyb.build \ - && cmake ../cthyb.src -DMPIEXEC_PREFLAGS='--allow-run-as-root' \ +RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/cthyb.git \ + && cd cthyb && mkdir -p build && cd build \ + && cmake ../ \ && make -j$NCORES && ctest -j$NCORES && make install # hubbardI -RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/hubbardI.git hubbardI.src \ - && mkdir -p hubbardI.build && cd hubbardI.build \ - && cmake ../hubbardI.src \ +RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/hubbardI.git \ + && cd hubbardI && mkdir -p build && cd build \ + && cmake ../ \ && make -j$NCORES && ctest -j$NCORES && make install # Hartree-Fock solver -RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/hartree_fock.git hartree.src \ - && mkdir -p hartree.build && cd hartree.build \ - && cmake ../hartree.src \ - && make -j$NCORES && make install +RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/hartree_fock.git \ + && cd hartree_fock && mkdir -p build && cd build \ + && cmake ../ \ + && make -j$NCORES && ctest -j$NCORES && make install # maxent needed for doc build -RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/maxent.git maxent.src \ - && mkdir -p maxent.build && cd maxent.build \ - && cmake ../maxent.src \ - && make -j$NCORES && make install +RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/maxent.git \ + && cd maxent && mkdir -p build && cd build \ + && cmake ../ \ + && make -j$NCORES && ctest -j$NCORES && make install # remove source RUN cd / && rm -rf source