Comments (7)
After building libcp2k
explicitly using make ARCH=local VERSION=sopt libcp2k
, it should be sufficient to put libcp2k.a
in the library path and the header and the libcp2k.mod
in the include path, yes.
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for further support, please use our Google Group
from cp2k.
Should we add a section to INSTALL.md or rather create a dedicated wiki page?
from cp2k.
I should add here that it looks like libcp2k.a
and libcp2k.h
are all that's needed for C interfaces but if you want Fortran you will need a number of the .mod
files, it was too much effort to figure out which ones (and probably a moving target) so we just included them all.
from cp2k.
Yeah, the .mod
files reference each other. I'm not sure there is a good solution for it :-/
So, it seems a short paragraph in INSTALL.md is sufficient then. Do you want to send in a PR?
from cp2k.
I could..should I target 2s
or3c
as the place to make the addition? (Left to my own devices, I probably would choose 3c
)
from cp2k.
Yes, 3c
is good.
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Related Issues (20)
- Request to add the function of "outputting <S**2> of excited state"
- Added TARGET_ GROWTH, Shake Lagrangian Multipliers only increase without decreasing
- SGP refactoring broke SIRIUS HOT 9
- [Feature Request] GPU Resident Single Precision and Mixed Precision for GEEP QMMM
- RI-RPA quadrature points convergence HOT 5
- Segmentation fault with amber parameter files for small systems HOT 1
- Feature Request: Non-local vdW functionals for ENERGY_CORRECTION (HARRIS/DC)
- Check required version of SIRIUS at startup
- Problem Compiling CP2K
- Segfault in ELPA HOT 3
- MGGA functionals for ROKS and SIC methods
- Broyden_mixing_new does not work
- Migration to `ctest` HOT 4
- nvcc with cuda_toolkit 12.4 not support gcc versions later than 12 HOT 3
- OpenMP variable `ngpts` in cp2k-2024.1/src/pw/pw_methods.F HOT 10
- Inquiry about Differences and Connections between CPMD and CP2K. HOT 4
- Compilation cp2k on AMD EPYC 9654/9754 Using Intel oneAPI. HOT 6
- Rerun slow regtest once more before flagging it
- How to call itimes variable in manybody forces evaluation HOT 1
- How to set pseudo-hydrogen?
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