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Merge branch 'v2.6' into v2.7
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@GiovanniBussi
GiovanniBussi committed Nov 11, 2020
2 parents 3243734 + ee160e4 commit e8564f3
Showing 1 changed file with 5 additions and 1 deletion.
6 changes: 5 additions & 1 deletion docker/centos7
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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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1 comment on commit e8564f3

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Found broken examples in automatic/performance-optimization.txt
Found broken examples in automatic/a-trieste-6.txt
Found broken examples in automatic/munster.txt
Found broken examples in automatic/ANN.tmp
Found broken examples in automatic/EDS.tmp
Found broken examples in automatic/EMMI.tmp
Found broken examples in automatic/FOURIER_TRANSFORM.tmp
Found broken examples in automatic/FUNCPATHGENERAL.tmp
Found broken examples in automatic/FUNCPATHMSD.tmp
Found broken examples in automatic/FUNNEL.tmp
Found broken examples in automatic/FUNNEL_PS.tmp
Found broken examples in automatic/INCLUDE.tmp
Found broken examples in automatic/MAZE_MEMETIC_SAMPLING.tmp
Found broken examples in automatic/MAZE_OPTIMIZER_BIAS.tmp
Found broken examples in automatic/MAZE_RANDOM_ACCELERATION_MD.tmp
Found broken examples in automatic/MAZE_RANDOM_WALK.tmp
Found broken examples in automatic/MAZE_SIMULATED_ANNEALING.tmp
Found broken examples in automatic/MAZE_STEERED_MD.tmp
Found broken examples in automatic/PIV.tmp
Found broken examples in automatic/PLUMED.tmp
Found broken examples in MiscelaneousPP.md

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