crest-lab / crest

CREST - A program for the automated exploration of low-energy molecular chemical space.
https://crest-lab.github.io/crest-docs/
GNU Lesser General Public License v3.0
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Support compiling code under Windows #276

Open kartlee opened 3 months ago

kartlee commented 3 months ago

The codebase doesn't compile under Windows, and while trying to see how far it goes with Visual Studio 2019 + Intel ifort 2022, I observed the following -

Above posix symbols are not available in windows vc compiler, and so those bindings needs to be fixed.

Would it be possible to check at your end compiling under windows, and see if crest works?

pprcht commented 3 months ago

We don't support or maintain a windows build at the moment. I don't think this will change anytime soon. Since some functions like QCG run shell commands as a subprocess, I'm pretty sure it wouldn't run without issues anyways.

Furthermore, I started moving away from the meson build system a bit and focus more on CMake.