| 36 |
|
i386-apple-darwin11.1.0 icc icpc (Intel v. 12) |
| 37 |
|
x86_64-unknown-linux-gnu gcc g++ (Pathscale 3.2) |
| 38 |
|
|
| 39 |
< |
2) GNU make (also known as gmake). Regular make won't work. |
| 40 |
< |
Really. We've tried. Don't bother with regular make. |
| 41 |
< |
Seriously. You need GNU make. Did we mention that you |
| 42 |
< |
need GNU make? |
| 39 |
> |
2) CMake, a cross-platform build system which is available at |
| 40 |
> |
http://www.cmake.org Most Linux and some Unix distributions |
| 41 |
> |
provide CMake as a standard package. If not, please download it, |
| 42 |
> |
and make sure you get a recent version. Mac OS X users can either |
| 43 |
> |
download the CMake installer or install it from the command line |
| 44 |
> |
using macports. |
| 45 |
|
|
| 46 |
< |
3) Perl. |
| 45 |
< |
|
| 46 |
< |
4) MPI-2 is optional for the single processor version of OpenMD, but |
| 46 |
> |
3) MPI-2 is optional for the single processor version of OpenMD, but |
| 47 |
|
is required if you want OpenMD to run in parallel. We like |
| 48 |
|
OpenMPI. Other implementations of MPI-2 might work, but we haven't |
| 49 |
< |
tried. You can get Open MPI here: http://www.open-mpi.org/ |
| 49 |
> |
tested them. You can get Open MPI here: http://www.open-mpi.org/ |
| 50 |
|
|
| 51 |
+ |
4) Other optional (but quite useful) libraries that will unlock some |
| 52 |
+ |
features of OpenMD: |
| 53 |
+ |
|
| 54 |
+ |
Open Babel: http://openbabel.org |
| 55 |
+ |
Qhull: http://www.qhull.org |
| 56 |
+ |
FFTW: http://www.fftw.org |
| 57 |
+ |
|
| 58 |
+ |
5) Some of the utility scripts depend on Python and Perl. These |
| 59 |
+ |
interpreters are common installations on most flavors of Unix and |
| 60 |
+ |
Mac OS X. |
| 61 |
+ |
|
| 62 |
+ |
|
| 63 |
|
INSTRUCTIONS |
| 64 |
|
|
| 65 |
|
1) Get, build, and test the required pieces above. |
| 66 |
< |
2) ./configure |
| 66 |
> |
2) cmake . |
| 67 |
|
3) make |
| 68 |
|
4) make install |
| 69 |
|
|
