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docker environments #11

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2c1b781
add serial and parallel dockerfiles, update requirements.txt to align…
NevesLucas Jul 8, 2022
98d218a
add dockerignore, missing git dep
NevesLucas Jul 8, 2022
526dca4
disable parallel container build due to mpi issues
NevesLucas Jul 8, 2022
55f7cbd
Update .gitignore
NevesLucas Jul 8, 2022
c1b9cd3
fix incorrect path addition at end of dockerfile, clean apt cache for…
NevesLucas Jul 8, 2022
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4 changes: 4 additions & 0 deletions .dockerignore
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.git
Docker/
*.md
build_docker.sh
3 changes: 3 additions & 0 deletions .gitignore
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Expand Up @@ -5,3 +5,6 @@ src/__pycache__/
# Timing logs:
src/Example/logs/*.log

*tar.gz
MLModels/

88 changes: 88 additions & 0 deletions Docker/parallel.dockerfile
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FROM ubuntu:focal as xyce_build

ARG DEBIAN_FRONTEND=noninteractive

RUN apt update && apt install -y git cmake build-essential gcc g++ ninja-build gfortran make bison flex libfl-dev libfftw3-dev libsuitesparse-dev libblas-dev liblapack-dev libtool autoconf automake libopenmpi-dev openmpi-bin

RUN git clone --branch Release-7.4.0 --depth 1 https://github.com/Xyce/Xyce.git

RUN git clone --branch trilinos-release-12-12-1 --depth 1 https://github.com/trilinos/Trilinos.git

WORKDIR /Trilinos

RUN mkdir build && cd build && cmake -GNinja -DCMAKE_C_COMPILER=mpicc \
-DCMAKE_CXX_COMPILER=mpic++ \
-DCMAKE_Fortran_COMPILER=mpif77 \
-DCMAKE_CXX_FLAGS="-O3 -fPIC" \
-DCMAKE_C_FLAGS="-O3 -fPIC" \
-DCMAKE_Fortran_FLAGS="-O3 -fPIC" \
-DCMAKE_MAKE_PROGRAM="ninja" \
-DCMAKE_INSTALL_PREFIX="/opt/trilinos_parallel" \
-DTrilinos_ENABLE_NOX=ON \
-DNOX_ENABLE_LOCA=ON \
-DTrilinos_ENABLE_EpetraExt=ON \
-DEpetraExt_BUILD_BTF=ON \
-DEpetraExt_BUILD_EXPERIMENTAL=ON \
-DEpetraExt_BUILD_GRAPH_REORDERINGS=ON \
-DTrilinos_ENABLE_TrilinosCouplings=ON \
-DTrilinos_ENABLE_Ifpack=ON \
-DTrilinos_ENABLE_Isorropia=ON \
-DTrilinos_ENABLE_AztecOO=ON \
-DTrilinos_ENABLE_Belos=ON \
-DTrilinos_ENABLE_Teuchos=ON \
-DTrilinos_ENABLE_COMPLEX_DOUBLE=ON \
-DTrilinos_ENABLE_Amesos=ON \
-DAmesos_ENABLE_KLU=ON \
-DTrilinos_ENABLE_Amesos2=ON \
-DAmesos2_ENABLE_KLU2=ON \
-DAmesos2_ENABLE_Basker=ON \
-DTrilinos_ENABLE_Sacado=ON \
-DTrilinos_ENABLE_Stokhos=ON \
-DTrilinos_ENABLE_Kokkos=ON \
-DTrilinos_ENABLE_Zoltan=ON \
-DTrilinos_ENABLE_ALL_OPTIONAL_PACKAGES=OFF \
-DTrilinos_ENABLE_CXX11=ON \
-DTPL_ENABLE_AMD=ON \
-DAMD_LIBRARY_DIRS="/usr/lib" \
-DTPL_AMD_INCLUDE_DIRS="/usr/include/suitesparse" \
-DTPL_ENABLE_BLAS=ON \
-DTPL_ENABLE_LAPACK=ON \
-DTPL_ENABLE_MPI=ON ..

RUN cd build && cmake --build . && ninja install

WORKDIR /Xyce

RUN ./bootstrap && mkdir build && cd build && \
../configure CXXFLAGS="-O3" ARCHDIR="/opt/trilinos_parallel" CPPFLAGS="-I/usr/include/suitesparse" -enable-mpi \
CXX=mpicxx \
CC=mpicc \
F77=mpif77 \
--enable-stokhos \
--enable-amesos2 \
--prefix=/opt/XyceInstall/Parallel && \
make -j $(nproc) && make install

FROM ubuntu:focal

ARG DEBIAN_FRONTEND=noninteractive

RUN apt update && apt install -y nano vim python-is-python3 python3-pip gfortran bison flex libfl-dev libfftw3-dev libsuitesparse-dev libblas-dev liblapack-dev libtool libopenmpi-dev openmpi-bin
WORKDIR /
COPY --from=xyce_build /opt /opt

ENV PATH /opt/XyceInstall/Parallel/bin:$PATH

RUN useradd -ms /bin/bash pact

WORKDIR /home/pact

COPY ./requirements.txt requirements.txt

USER pact

RUN pip3 install -r requirements.txt

COPY --chown=pact:pact . ./

CMD ["/bin/bash"]
80 changes: 80 additions & 0 deletions Docker/serial.dockerfile
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FROM ubuntu:focal as xyce_build

ARG DEBIAN_FRONTEND=noninteractive

RUN apt update && apt install -y gcc g++ git build-essential ninja-build gfortran make cmake bison flex libfl-dev libfftw3-dev libsuitesparse-dev libblas-dev liblapack-dev libtool automake autoconf

RUN git clone --branch Release-7.4.0 --depth 1 https://github.com/Xyce/Xyce.git

RUN git clone --branch trilinos-release-12-12-1 --depth 1 https://github.com/trilinos/Trilinos.git

WORKDIR /Trilinos

ARG FLAGS="-O3 -fPIC"

RUN mkdir build && cd build && cmake -GNinja \
-DCMAKE_C_COMPILER=gcc \
-DCMAKE_CXX_COMPILER=g++ \
-DCMAKE_Fortran_COMPILER=gfortran \
-DCMAKE_CXX_FLAGS="$FLAGS" \
-DCMAKE_C_FLAGS="$FLAGS" \
-DCMAKE_Fortran_FLAGS="$FLAGS" \
-DCMAKE_INSTALL_PREFIX="/opt/trilinos_serial" \
-DCMAKE_MAKE_PROGRAM="ninja" \
-DTrilinos_ENABLE_NOX=ON \
-DNOX_ENABLE_LOCA=ON \
-DTrilinos_ENABLE_EpetraExt=ON \
-DEpetraExt_BUILD_BTF=ON \
-DEpetraExt_BUILD_EXPERIMENTAL=ON \
-DEpetraExt_BUILD_GRAPH_REORDERINGS=ON \
-DTrilinos_ENABLE_TrilinosCouplings=ON \
-DTrilinos_ENABLE_Ifpack=ON \
-DTrilinos_ENABLE_Isorropia=ON \
-DTrilinos_ENABLE_AztecOO=ON \
-DTrilinos_ENABLE_Belos=ON \
-DTrilinos_ENABLE_Teuchos=ON \
-DTeuchos_ENABLE_COMPLEX=ON \
-DTrilinos_ENABLE_Amesos=ON \
-DAmesos_ENABLE_KLU=ON \
-DTrilinos_ENABLE_Sacado=ON \
-DTrilinos_ENABLE_Kokkos=OFF \
-DTrilinos_ENABLE_ALL_OPTIONAL_PACKAGES=OFF \
-DTrilinos_ENABLE_CXX11=OFF \
-DTPL_ENABLE_AMD=ON \
-DAMD_LIBRARY_DIRS="/usr/lib" \
-DTPL_AMD_INCLUDE_DIRS="/usr/include/suitesparse" \
-DTPL_ENABLE_BLAS=ON \
-DTPL_ENABLE_LAPACK=ON ..

RUN cd build && cmake --build . && ninja install

WORKDIR /Xyce

RUN ./bootstrap && mkdir build && cd build && \
../configure CXXFLAGS="-O3" ARCHDIR="/opt/trilinos_serial" CPPFLAGS="-I/usr/include/suitesparse" \
--prefix=/opt/XyceInstall/Serial && \
make -j $(nproc) && make install

FROM ubuntu:focal

ARG DEBIAN_FRONTEND=noninteractive

RUN apt update && apt install -y nano vim python-is-python3 python3-pip gfortran bison flex libfl-dev libfftw3-dev libsuitesparse-dev libblas-dev liblapack-dev libtool && rm -rf /var/lib/apt/lists/*
WORKDIR /
COPY --from=xyce_build /opt /opt

ENV PATH /opt/XyceInstall/Serial/bin:$PATH

RUN useradd -ms /bin/bash pact

WORKDIR /home/pact

COPY ./requirements.txt requirements.txt

USER pact

RUN pip3 install -r requirements.txt

COPY --chown=pact:pact . ./

CMD ["/bin/bash"]
7 changes: 7 additions & 0 deletions build_docker.sh
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#!/bin/sh -l

#docker build --pull --rm -f "Docker\parallel.dockerfile" -t pact:latest-parallel . <-- not currently working

###TODO: check if models are already downloaded before building docker image, get them if not

docker build --pull --rm -f "Docker\serial.dockerfile" -t pact:latest-serial .
8 changes: 4 additions & 4 deletions requirements.txt
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numpy==1.14.5
pandas==0.23.3
scipy==1.1.0
configparser==3.5.0
numpy==1.22.0
pandas==1.4.3
scipy==1.8.1
configparser==3.5.0