Enable libxc7.0.0 #393
Merged
Enable libxc7.0.0 #393
Conversation
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
added XC_LibXC_v7_module.f90 for libxc_7.0.0 system/system.example.make is also changed
…module.f90 Instead of adding XC_LibXC_v7_module.f90, using f03 interface in *v5_module.f90 I have changed XC_LibXC_v5_module.f90, system/system.example.make and tools/BasisGeneration/radial_xc_LibXC_v5_module.f90 Other system.make files should be also changed depending on platforms.
Modified system/system.gha.make for git to use f03.
davidbowler
approved these changes
Jan 14, 2025
Contributor
davidbowler
left a comment
davidbowler
left a comment
There was a problem hiding this comment.
Note that the BasisGeneration code uses the system.make file from the src directory so there is no update needed there.
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Since libxc7.0.0 has deleted f90 interfaces, we now need to use f03 interfaces.
Instead of adding LibXC_v7_module.f90, we have decided to use f03 interfaces even in XC_LibXC_v5_module.f90 to use libXC v5 , v6 and v7.
Users also need to change system.make to link with libXC by -lxcf03 instead of -lxcf90.
(See system.example.make)