Files
apbs/Dockerfile

65 lines
1.5 KiB
Docker

FROM ubuntu:20.04
RUN apt-get update && \
DEBIAN_FRONTEND=noninteractive apt-get install -y \
software-properties-common \
build-essential \
dpkg-dev \
unzip \
cmake \
git \
libarpack2-dev \
libopenblas-dev \
liblapack-dev \
libsuperlu-dev \
libf2c2-dev \
libsuitesparse-dev \
libeigen3-dev \
libboost-dev \
&& \
/bin/true
ADD . /tmp_source
ARG BUILD_SHARED_LIBS=OFF
ARG INSTALL_DIR=/usr/local
ARG RELEASE_TYPE=Debug
ARG ENABLE_PYGBE=OFF
ARG ENABLE_BEM=ON
ARG ENABLE_FETK=ON
ARG ENABLE_GEOFLOW=ON
ARG ENABLE_iAPBS=ON
ARG ENABLE_PBAM=ON
ARG ENABLE_PBSAM=ON
ARG FETK_VERSION=1.8.1
RUN cd /tmp_source && \
mkdir build && cd build && \
cmake \
-DCMAKE_INSTALL_INCLUDEDIR="include" \
-DBUILD_DOC=ON \
-DBUILD_SHARED_LIBS=${BUILD_SHARED_LIBS} \
-DBUILD_TOOLS=ON \
-DCMAKE_BUILD_TYPE=$RELEASE_TYPE \
-DCMAKE_INSTALL_PREFIX=$INSTALL_DIR \
-DENABLE_PYGBE=${ENABLE_PYGBE} \
-DENABLE_BEM=${ENABLE_BEM} \
-DENABLE_iAPBS=${ENABLE_iAPBS} \
-DENABLE_GEOFLOW=${ENABLE_GEOFLOW} \
-DENABLE_FETK=${ENABLE_FETK} \
-DENABLE_OPENMP=ON \
-DENABLE_PBAM=${ENABLE_PBAM} \
-DENABLE_PBSAM=${ENABLE_PBSAM} \
-DENABLE_PYTHON=OFF \
-DENABLE_TESTS=ON \
-DENABLE_TINKER=OFF \
-DFETK_VERSION=${FETK_VERSION} \
-DGIT_SUBMODULE=OFF \
.. && \
make -j install && \
/bin/true
#RUN cd /tmp_source && \
# ./.build.sh && \
# /bin/true