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Failed to compile oncvpsp git master version with the libxc-5.0.0, i.e., git master version. #3

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hongyi-zhao opened this issue May 1, 2020 · 2 comments

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@hongyi-zhao
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Hi,

The API of Libxc has changed between v4 and v5. While the oncvpsp still not update its interface to Libxc v5. As a result, the compilation of oncvpsp git master version with the libxc-5.0.0, i.e., git master version will fail.

See here for more info.

Could you please solve this problem?

Regards

@gmatteo
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gmatteo commented May 29, 2020

Libxc5 is not yet supported.

Note, however, that libxc 5.0.0 is affected by serious bugs and the developers are planning a hotfix release

For the time being, I would say that the fact that oncvpsp fails to compile with libxc5 is positive because libxc-5.0.0 should not be used for production

@hongyi-zhao
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hongyi-zhao commented May 29, 2020

Thanks a lot for your notes. I also learned that from users@lists.quantum-espresso.org.

I excerpted the comments there:

Hi,

This is actually an issue of libxc 5.0, they wrongly removed the fortran 03 binding instead of the fortran 90. This issue will be solved likely in the next libxc version.

It has already been fixed in the gitlab repository

https://gitlab.com/libxc/libxc/-/merge_requests/305

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