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Update VASP linking instructions#279

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marvinfriede merged 2 commits intodftd4:mainfrom
marvinfriede:vasp-install
Feb 13, 2025
Merged

Update VASP linking instructions#279
marvinfriede merged 2 commits intodftd4:mainfrom
marvinfriede:vasp-install

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@marvinfriede
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See #216. As suggested by #216 (comment).

@marvinfriede marvinfriede requested a review from awvwgk February 9, 2025 09:18
@marvinfriede marvinfriede merged commit eb875e1 into dftd4:main Feb 13, 2025
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@marvinfriede marvinfriede deleted the vasp-install branch February 13, 2025 15:29
@bjoe2k4
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bjoe2k4 commented Feb 14, 2025

I think this really depends on how dftd4 was built. If I build dftd4 (with meson) without building multicharge mctc-lib etc... then my libdftd4.so comes with all dependencies included and everything works just fine, even when building vasp (verified recently with vasp v6.5.0).

Unfortunately the new suggestion throws an error when dftd4 is built as a standalone library:

$ pkg-config --libs dftd4 multicharge mctc-lib
Package multicharge was not found in the pkg-config search path.
Perhaps you should add the directory containing `multicharge.pc'
to the PKG_CONFIG_PATH environment variable
No package 'multicharge' found
Package mctc-lib was not found in the pkg-config search path.
Perhaps you should add the directory containing `mctc-lib.pc'
to the PKG_CONFIG_PATH environment variable
No package 'mctc-lib' found

@marvinfriede
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Can you please check if the following also fails with your setup?

LLIBS += $(shell pkg-config --libs dftd4) -lmulticharge -lmctc-lib -lmstore

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bjoe2k4 commented Feb 14, 2025

No, that fails unfortunately.

ld: cannot find ld-lmulticharge: cannot find : -lmulticharge: No such file or directory

@marvinfriede marvinfriede added the VASP Related to VASP label Feb 14, 2025
@marvinfriede
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Thanks for testing. I reverted the changes introduced in this PR and only added the additional linking flags as a hint (#280).

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3 participants