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Added python to Centos7 build
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GiovanniBussi committed Nov 11, 2020
1 parent 5104547 commit ee160e4
Showing 1 changed file with 5 additions and 1 deletion.
6 changes: 5 additions & 1 deletion docker/centos7
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,9 @@ FROM centos:7
RUN yum -y update \
&& yum -y group install "Development Tools" \
&& yum -y install environment-modules gawk vim wget \
lapack-devel blas-devel zlib-devel gsl-devel fftw-devel openmpi-devel
lapack-devel blas-devel zlib-devel gsl-devel fftw-devel openmpi-devel \
python3 python3-devel python3-pip \
&& pip3 install cython numpy pandas mdtraj MDAnalysis

RUN useradd -ms /bin/bash plumed
USER plumed
Expand All @@ -25,6 +27,8 @@ RUN . /etc/bashrc \
&& export LD_LIBRARY_PATH=$HOME/opt/lib:$LD_LIBRARY_PATH \
&& tar xzf plumed2.tgz \
&& cd plumed2 \
&& export PYTHONPATH=$PWD/python:$PYTHONPATH \
&& export PYTHON_BIN=python3 \
&& .travis/install.boost release \
&& .travis/install.xdrfile \
&& ./configure --enable-modules=all --enable-boost_serialization \
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