Introduction:

• Chemistry Service
• Web: Bootstrap + Django + Piston
• Client: WPF
• Calculate Service: some specific software, dragon, mopac etc.

Requirements:

• Django 1.4 +
• lbforum
• django-debug-toolbar
• django-tinymce

Installation:

• web tools:

• sudo pip install -r requirements.txt

• hg clone https://bitbucket.org/jespern/django-piston # Piston, a RESTFul API

  • sudo python django-piston/setup.py build
  • sudo python django-piston/setup.py install

• Mysql:

• create database Chemistry CHARACTER SET utf8;

• python manage.py syncdb

• python manage.py migrate

• python manage.py syncdb

• Calculated software

• sudo apt-get install python-openbabel -y

• some other software should be installed manually

• sudo apt-get install ia32-libs -y #32-bit lib for 64-bit machine

• Install Redis

• wget http://redis.googlecode.com/files/redis-2.6.12.tar.gz

• tar -zxvf redis-2.6.12.tar.gz

• make && make test

• sudo make install

• python manage.py runserver IP:PORT

• go web browser, visit: IP:PORT

License

GPLv3, see LICENSE file test