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tsoc
openmm
Commits
bf0420d2
Commit
bf0420d2
authored
Nov 07, 2014
by
peastman
Browse files
Merge pull request #709 from kyleabeauchamp/removevm
Removed virtual machine.
parents
9e10769a
ea5f9ee7
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devtools/build-vm/linux/Vagrantfile
devtools/build-vm/linux/Vagrantfile
+0
-88
devtools/build-vm/linux/build_conda_package_vagrant.sh
devtools/build-vm/linux/build_conda_package_vagrant.sh
+0
-20
devtools/build-vm/linux/setup_centos_vm.sh
devtools/build-vm/linux/setup_centos_vm.sh
+0
-63
No files found.
devtools/build-vm/linux/Vagrantfile
deleted
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9e10769a
# -*- mode: ruby -*-
# vi: set ft=ruby :
# Vagrantfile API/syntax version. Don't touch unless you know what you're doing!
VAGRANTFILE_API_VERSION
=
"2"
Vagrant
.
configure
(
VAGRANTFILE_API_VERSION
)
do
|
config
|
# All Vagrant configuration is done here. The most common configuration
# options are documented and commented below. For a complete reference,
# please see the online documentation at vagrantup.com.
# Every Vagrant virtual environment requires a box to build off of.
config
.
vm
.
box
=
"chef/centos-6.5"
# Disable automatic box update checking. If you disable this, then
# boxes will only be checked for updates when the user runs
# `vagrant box outdated`. This is not recommended.
# config.vm.box_check_update = false
# Create a forwarded port mapping which allows access to a specific port
# within the machine from a port on the host machine. In the example below,
# accessing "localhost:8080" will access port 80 on the guest machine.
# config.vm.network "forwarded_port", guest: 80, host: 8080
# Create a private network, which allows host-only access to the machine
# using a specific IP.
# config.vm.network "private_network", ip: "192.168.33.10"
# Create a public network, which generally matched to bridged network.
# Bridged networks make the machine appear as another physical device on
# your network.
# config.vm.network "public_network"
# If true, then any SSH connections made will enable agent forwarding.
# Default value: false
# config.ssh.forward_agent = true
# Share an additional folder to the guest VM. The first argument is
# the path on the host to the actual folder. The second argument is
# the path on the guest to mount the folder. And the optional third
# argument is a set of non-required options.
# config.vm.synced_folder "../data", "/vagrant_data"
# Provider-specific configuration so you can fine-tune various
# backing providers for Vagrant. These expose provider-specific options.
# Example for VirtualBox:
#
# config.vm.provider "virtualbox" do |vb|
# # Don't boot with headless mode
# vb.gui = true
#
# # Use VBoxManage to customize the VM. For example to change memory:
# vb.customize ["modifyvm", :id, "--memory", "1024"]
# end
#
# View the documentation for the provider you're using for more
# information on available options.
# Enable provisioning with CFEngine. CFEngine Community packages are
# automatically installed. For example, configure the host as a
# policy server and optionally a policy file to run:
#
# config.vm.provision "cfengine" do |cf|
# cf.am_policy_hub = true
# # cf.run_file = "motd.cf"
# end
#
# You can also configure and bootstrap a client to an existing
# policy server:
#
# config.vm.provision "cfengine" do |cf|
# cf.policy_server_address = "10.0.2.15"
# end
# Enable provisioning with Puppet stand alone. Puppet manifests
# are contained in a directory path relative to this Vagrantfile.
# You will need to create the manifests directory and a manifest in
# the file default.pp in the manifests_path directory.
#
# config.vm.provision "puppet" do |puppet|
# puppet.manifests_path = "manifests"
# puppet.manifest_file = "site.pp"
# end
config
.
vm
.
provision
"shell"
,
inline:
"su -c 'source /vagrant/setup_centos_vm.sh' vagrant"
end
devtools/build-vm/linux/build_conda_package_vagrant.sh
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9e10769a
export
PATH
=
$HOME
/miniconda/bin:
$PATH
export
SWIG_LIB
=
$HOME
/miniconda/share/swig/
export
CC
=
"clang++"
git clone https://github.com/simtk/openmm.git
cd
openmm
git checkout tags/6.1
# To checkout specific release for packaging.
conda
install
--file
devtools/ci/requirements-conda.txt
--yes
# For CI build:
conda build devtools/conda-recipe
# For release build:
cd
../
git clone https://github.com/omnia-md/conda-recipes.git
conda build conda-recipes/openmm
# To upload the file, do something the following command but with the package version changed:
binstar upload
-u
omnia /home/vagrant/miniconda/conda-bld/linux-64/openmm-6.1-py27_0.tar.bz2
devtools/build-vm/linux/setup_centos_vm.sh
deleted
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9e10769a
# 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
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