From ee160e40c0caf86eec5d5f4b738900f12867176a Mon Sep 17 00:00:00 2001 From: Giovanni Bussi Date: Wed, 11 Nov 2020 09:02:02 +0100 Subject: [PATCH] Added python to Centos7 build --- docker/centos7 | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/docker/centos7 b/docker/centos7 index 5bf16e3f75..14a2424d8d 100644 --- a/docker/centos7 +++ b/docker/centos7 @@ -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 @@ -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 \