# Prepare a vagrant CentOS 6.5 VM for building OpenMM # Needs latest version of vagrant to auto-download the chef package #vagrant init chef/centos-6.5 #vagrant up #vagrant ssh # Download and enable the EPEL RedHat EL extras repository mkdir ~/Software cd Software sudo yum install wget -y wget http://dl.fedoraproject.org/pub/epel/6/i386/epel-release-6-8.noarch.rpm sudo rpm -i epel-release-6-8.noarch.rpm sudo yum update -y # Several of these come from the EPEL repo sudo yum install clang cmake28 graphviz perl flex bison rpm-build texlive texlive-latex ghostscript gcc gcc-c++ git vim -y # Note: changed from clang-3.4 to clang because the package has apparently been renamed. KAB Oct 2 2014. # Probably can't use RHEL6 version of doxygen because it's very old. wget http://ftp.stack.nl/pub/users/dimitri/doxygen-1.8.7.src.tar.gz rpmbuild -ta doxygen-1.8.7.src.tar.gz sudo rpm -i ~/rpmbuild/RPMS/x86_64/doxygen-1.8.7-1.x86_64.rpm rm ~/rpmbuild -r sudo yum clean headers sudo yum clean packages # Install CUDA6.5 for RHEL6 cd ~/Software wget http://developer.download.nvidia.com/compute/cuda/repos/rhel6/x86_64/cuda-repo-rhel6-6.5-14.x86_64.rpm sudo rpm -i cuda-repo-rhel6-6.5-14.x86_64.rpm sudo yum clean expire-cache sudo yum install cuda -y # NOTE: NVIDIA may push new MAJOR release versions of CUDA without warning. # This is even *before* doing the below update. Beware. sudo yum update -y # Force a second update, in case CUDA has necessary patches. # Install Conda cd ~/Software wget http://repo.continuum.io/miniconda/Miniconda-3.7.0-Linux-x86_64.sh bash Miniconda-3.7.0-Linux-x86_64.sh -b # So there is a bug in some versions of anaconda where the path to swig files is HARDCODED. Below is workaround. See https://github.com/ContinuumIO/anaconda-issues/issues/48 sudo ln -s ~/miniconda/ /opt/anaconda1anaconda2anaconda3 export PATH=$HOME/miniconda/bin:$PATH conda config --add channels http://conda.binstar.org/omnia conda install --yes fftw3f jinja2 swig sphinx conda-build cmake binstar # Download AMD APP SDK from here, requires click agreement: http://developer.amd.com/amd-license-agreement-appsdk/ # Ideally we could cache this on AWS or something... mkdir ~/Software/AMD cd ~/Software/AMD # Copy the tarball to the directory containing VagrantFile, which will be shared on the guest as /vagrant/ cp /vagrant/AMD-APP-SDK-v2.9-lnx64.tgz ./ tar -zxvf /vagrant/AMD-APP-SDK-v2.9-lnx64.tgz sudo ./Install-AMD-APP.sh