Pteros  2.0
Molecular modeling library for human beings!
Installation

Portability

Pteros is being developed on Linux with gcc and clang compilers. New versions are tested periodically on Windows under MinGW gcc compiler (see Installation on Windows). Other compilers and operating systems are not tested because we have no other systems in possession. Design decisions are made with portability to Linux, Windows and MacOS in mind. Other systems are not considered. The code itself should be 100% portable providing that the dependencies are available for your system, but expect platform-dependent quirks and issues, which are common to all complex C++ programs, not only to Pteros.

Note
If you managed to compile Pteros on MacOS, please share your experience because we have no Mac machines to perform the tests.
Warning
Intel ICC compiles Pteros on Linux, but gives poor performance. Compiling with Intel MKL works, but gives broken Python bindings. Any help with these issues is appreciated!
Note
Linux is considered as primary platform for Pteros. Installation on Windows is only tested from time to time and may be very tricky. You are warned.