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add MACOS option for makefile #9
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@cbannwarth you added those options, do you know if this is possible? |
I have not tried this for xtb4stda, yet, just for stda. |
Thanks both for the prompt responses! I made some progress - I replaced the Makefile with the one from stda, and within the Makefile replaced all the OBJS with the respective ones in src as well as changing PROG to xtb4stda and OSTYPE to MACOS. In the repo, I then moved all the .f files out of src, .fh files out of include, and .mod files out of modules into the main folder. Running make seemed to build properly and created a statically linked executable xtb4stda in the main folder. I then linked it with
And typing xtb4stda in the command line seems to work properly:
Though I'm unsure if the parameter files were properly included. Will try some test cases and let you know! You can see my changes in my fork: https://github.com/shomikverma/xtb4stda |
Hi, I also compiled on MacOS using ninja build_gcc and it worked after I made a few changes in the code (mostly did not accept == for comparison and a few small things). Afterwards the program (that I installed in /usr/local) required me to modify where the parameters were located. This was just a change in path on the source code. However, despite that, I got the error **dyld: lazy symbol binding failed: Symbol not found: ___emutls_get_address dyld: Symbol not found: ___emutls_get_address Program received signal SIGABRT: Process abort signal. Backtrace for this error: I read that this is related to Mac though. Do you see this problem? |
Note you can activate the kshift with the -kshift option. |
I do not know. @cbannwarth, any idea? |
@mdewergi I also never tried compiling xtb4stda on MacOS, unfortunately. |
Here is the solution:
Point 2 is essential for the proper running of the program. |
stda recently added macos option for makefiles, so I was wondering if xtb4stda could also be similarly updated. I attempted to edit the makerules and makeconfig files but was unsuccessful - would really appreciate this feature!
For now, I've circumvented by exporting a molden file in xtb to use in stda. the manual states that the parameters are set automatically - was wondering how they are set so I can replicate this while using a molden file.
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