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Dockerfile
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Dockerfile
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# This is the Dockerfile for PSCF.
#
# To build the container, you need docker to be installed on
# your machine (https://www.docker.com) and run the following command
#
# docker build -t pscf .
#
# It will create a Debian-based container that contains everything
# needed to compile pscf
#
# Everything will be installed in /pscf
#
# To run the container interactively
#
# docker run -it pcsf /bin/bash
FROM debian
RUN apt-get update && \
apt-get install -y \
cmake \
gfortran \
liblapack3 \
libfftw3-dev \
python
WORKDIR .
ADD . /pcsf
RUN cd /pcsf_SRC && \
mkdir -p build && \
cd build && \
export FC=`which gfortran` && \
cmake .. -DCMAKE_BUILD_TYPE=Release \
-DCMAKE_INSTALL_PREFIX=/pcsf && \
make && \
make install