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Enable libxc7.0.0 #393

Merged
merged 3 commits into from
Jan 14, 2025
Merged

Enable libxc7.0.0 #393

merged 3 commits into from
Jan 14, 2025

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tsuyoshi38
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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)

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.
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@davidbowler davidbowler left a comment

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Note that the BasisGeneration code uses the system.make file from the src directory so there is no update needed there.

@davidbowler davidbowler changed the title F libxc7.0.0 Enable libxc7.0.0 Jan 14, 2025
@tsuyoshi38 tsuyoshi38 merged commit 868ab6d into develop Jan 14, 2025
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@tsuyoshi38 tsuyoshi38 deleted the f-libxc7.0.0 branch January 14, 2025 08:09
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2 participants