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Fixed compilation instructions #1

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merged 5 commits into from
Jul 31, 2023

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SHZ66
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@SHZ66 SHZ66 commented Jul 30, 2023

Hi Karolina,

This PR partially fixes the compilation of the new module. However, the fortran module that the code is still an issue. Most machines won't have gfortran to compile it, nor should we expect the users to install it, for several reasons: 1) it needs to be installed by apt-get or homebrew, not pip; 2) not sure if it can be compiled correctly on all platforms (Mac & Windows); 3) unmaintainable code (we should think about replacing the C/C++ modules with Cython or Python code for that matter). Any chance they could depend on a another library that is not written by fortran?

Best,
John

@karolamik13 karolamik13 merged commit 9f0ac55 into karolamik13:interactions Jul 31, 2023
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Thank you so much, John! We will try to replace the code.

Best wishes, Karolina

karolamik13 pushed a commit that referenced this pull request Oct 6, 2023
Support for bonds, test cases, other fixes.
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2 participants