Build research lab: Difference between revisions
Jump to navigation
Jump to search
(Created page with "Here is how to build a core research lab using our tools. = install operating system and core tools = * 1. Set up a computer. e.g. Centos 6.5 * 2. Get out tools DOCK.git ...") |
|||
| Line 2: | Line 2: | ||
= install operating system and core tools = | = install operating system and core tools = | ||
* 1. Set up a computer. | * 1. Set up a computer. | ||
You can get a USB or DVD image of Centos 6.5, for example. 64 bit hardware is better, but 32 bit should work. | |||
Other linuxes have not been tested well, but Fedora should work. | |||
* 2. Get | * 2. Get our tools and install core packages | ||
acquire DOCK.git from github.org | |||
As root: | |||
cat centos-packages | xargs yum install -y | |||
* 3. Download Python 2.7 | * 3. Download, Install and Customize Python | ||
Tested with 2.7.x We are working towards a 3.x version. | |||
This is not absolutely necessary, but we find it is more reliable to have complete control. as root: | |||
./python.sh path-to-python-tarball /opt/python | ./python.sh path-to-python-tarball /opt/python | ||
run install ez_setup.py setuptools to new python install | |||
* | * 4. Use ezinstall to add pip | ||
command here | |||
* | * 5. Install latest Postgres | ||
yum install psql | |||
* | * 6. Get latest Rdkit | ||
get rdkit. | |||
* | * 7 Use pip to get tools | ||
pip install flask | |||
pip install sqlalchemy | |||
pip install flask-admin | |||
* | * 8. Get our tools | ||
* | * 9. Get UCSF Software | ||
get rdalchemy.git | |||
get AgAd demo and data from git | |||
* | * 10. Global update of all software | ||
yum update | |||
= testing = | = testing = | ||
Revision as of 18:51, 21 October 2014
Here is how to build a core research lab using our tools.
install operating system and core tools
- 1. Set up a computer.
You can get a USB or DVD image of Centos 6.5, for example. 64 bit hardware is better, but 32 bit should work. Other linuxes have not been tested well, but Fedora should work.
- 2. Get our tools and install core packages
acquire DOCK.git from github.org
As root:
cat centos-packages | xargs yum install -y
- 3. Download, Install and Customize Python
Tested with 2.7.x We are working towards a 3.x version. This is not absolutely necessary, but we find it is more reliable to have complete control. as root:
./python.sh path-to-python-tarball /opt/python run install ez_setup.py setuptools to new python install
- 4. Use ezinstall to add pip
command here
- 5. Install latest Postgres
yum install psql
- 6. Get latest Rdkit
get rdkit.
- 7 Use pip to get tools
pip install flask pip install sqlalchemy pip install flask-admin
- 8. Get our tools
- 9. Get UCSF Software
get rdalchemy.git
get AgAd demo and data from git
- 10. Global update of all software
yum update
testing
- 1 . set up a web server
- 2. run DOCK
optional set up
- 1. queuing system
- 2. nfs server and central services