missing files in 8.4.6?

[Ronald Cohen]

It seems like libxcf90.f90 mkl_dfti.f90 etc are not included in the distribution?
Ron

[J. K. Dewhurst]

Hi Ron,

These files are deliberately not included.

libxcf90.f90 should correspond to the version of libxc used. The current version of libxc (5.2.2) is incompatible with libxcf90.f90 from version 5.1.2, so we felt it was better to require the user to copy the file from the installed libxc package.

mkl_dfti.f90 cannot be included without permission from Intel. The location of this file can vary. On our cluster for example, it can be found in .../intel_oneapi/2022.1/mkl/2022.0.2/include/

Regards,
Kay.

[Ronald Cohen]

Thanks so much! I was using the wrong version of this libxcf90! Ron

--
Ron Cohen
recohen3@gmail.com
On May 2, 2022, 2:30 PM -0400, J. K. Dewhurst jkdewhurst@users.sourceforge.net, wrote:

Hi Ron,
These files are deliberately not included.
libxcf90.f90 should correspond to the version of libxc used. The current version of libxc (5.2.2) is incompatible with libxcf90.f90 from version 5.1.2, so we felt it was better to require the user to copy the file from the installed libxc package.
mkl_dfti.f90 cannot be included without permission from Intel. The location of this file can vary. On our cluster for example, it can be found in .../intel_oneapi/2022.1/mkl/2022.0.2/include/
Regards,
Kay.
missing files in 8.4.6?
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