CHOMP installation
From SHARPEN
Contents |
External Libraries
- CHOMP compilation is straightforward, but has dependencies, and compiling requires significant memory use.
- In most cases, several of these dependencies will already be present on your system
- Useful background reading for Linux/programming beginners
- Blitz[1]: templating magic for fast array operations
- Boost[2] for improving templating magic interface with code generation and exposing C++ to python
- Boost-jam[3][4] an alternative to "make" for getting everything compiled and linked
- Python[5], and the numpy [6] module are also required
- iPython[7] is an improved python shell. Technically optional but very highly recommended.
- GCC [8] By supporting precompiled headers, GCC versions > 4.1 improve long CHOMP compile times
- libtool [9]. Required because we compile energy functions as shared libraries.
- Known Compatible Library Combinations
Installation Instructions
The following instructions assume installation into a code directory
mkdir ~/code cd ~/code
1. GCC > 4.1
2. Python >=2.5
3. numpy
4. iPython
5. Boost
6. bjam
7. Blitz
8. Libtool
9. CHOMP
10. Set environment variables
11. Good ways to get started.
- Run through an interactive Python session
- Run the test calculations in dist/script_test_suite
- Try a calculation without using Python
- Try tutorial scripts
