search

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
204 stars 42 forks source link

Not everybody is doing static linking! #256

Closed pierre-24 closed 3 months ago

pierre-24 commented 9 months ago

You people at Bonn like to assume that one prefer static linking (see, e.g., there) ;)

However, while it is nice to have ready-to-use and -to-share executable, don't forget that you create codes that can be used on supercomputer, where static linking is generally the exception, not the rule (thanks to the module systems and so forth). So, would it be possible to remove line 25-27 of meson.build and/or add a specific option to do so (it was -Dstatic=false in xtb, but they seems to do it differently now)? Thanks in advance :)

pprcht commented 9 months ago

I won't remove the option by default (for now) because this build is used for the precompiled binary.

If you need a build specific for your HPC system you can either edit the meson build yourself or try the CMake version, which should be dynamically linked by default.

I'll try to create dedicated build option though, that might be useful.

pierre-24 commented 9 months ago

I was indeed able to compile the project by commenting the lines I mentioned, using gfortran and openblas. However, it does not works with mkl, for which you have to transmit the options to other projects (tblite, for example). So having a dedicated option is definitely the way to go :)

github-actions[bot] commented 3 months ago

This issue had no activity for 6 months. It will be closed in 1 week unless there is some new activity.