Hi, Could you share more information, like the full output of the cmake invocation, it is hard (if not impossible) to work out what went wrong in this case.
Den ons. 29. maj 2024 kl. 22.00 skrev I. Camps <ica...@gmail.com>: > Hello, > > I downloaded SIESTA version 5.0 from Gitlab ( > https://urldefense.com/v3/__https://gitlab.com/siesta-project/siesta/-/releases/5.0.0__;!!D9dNQwwGXtA!X3CjzQFENOHlj3YjbHy0VwALfhDvC5YJta_5wauxQY8eniNvx6e9zmiLRFolXQn2XQOc3IxEWUtK_5yUEQ$ > ) > <https://urldefense.com/v3/__https://gitlab.com/siesta-project/siesta/-/releases/5.0.0)__;!!D9dNQwwGXtA!Rkn1x3TU0j53Ix6xXXF7kYhYKQlJKWYK6uHzjjHvggVdN1_pL0Z0UcoPpBBKjS7nQVNPM3at32r5$> > and latest LibXC library version 6.2.2 > (https://urldefense.com/v3/__https://libxc.gitlab.io/download/__;!!D9dNQwwGXtA!X3CjzQFENOHlj3YjbHy0VwALfhDvC5YJta_5wauxQY8eniNvx6e9zmiLRFolXQn2XQOc3IxEWUv4b-NehA$ > > <https://urldefense.com/v3/__https://libxc.gitlab.io/download/__;!!D9dNQwwGXtA!Rkn1x3TU0j53Ix6xXXF7kYhYKQlJKWYK6uHzjjHvggVdN1_pL0Z0UcoPpBBKjS7nQVNPM3BcCan2$> > ). > > After compiling LibXC, I installed it at */software/libxc*. > Then I used the following to compile SIESTA: > > *cmake -S. -B_build -DSIESTA_TOOLCHAIN=gnu > -DCMAKE_INSTALL_PREFIX=/software/siesta -DSIESTA_WITH_LIBXC=ON > -DSIESTA_WITH_NETCDF_PARALLEL=ON -DSIESTA_EXECUTABLE_SUFFIX=.x > -DSIESTA_WITH_OPENMP=ON -DSIESTA_WITH_NCDF=ON > -DCMAKE_PREFIX_PATH=/software/libxc -DOpenMP_Fortran_FLAGS=-fopenmp > -DSIESTA_TESTS_MPI_MAX_NUMPROCS=19 -DSIESTA_WITH_LIBXC=ON > -DCMAKE_PREFIX_PATH=/software/libxc* > > Which return the compilation error: > *CMake Error at CMakeLists.txt:347 (message):* > * Libxc could not be found by CMake* > > Without the information about LibXC, SIESTA compiles without any issue. > > PS: I also tried to point *CMAKE_PREFIX_PATH *to LibXC source folder, > unsuccessfully. > > Any help is welcome! > > > []'s, > Camps > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence > (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!X3CjzQFENOHlj3YjbHy0VwALfhDvC5YJta_5wauxQY8eniNvx6e9zmiLRFolXQn2XQOc3IxEWUvGq8nSQQ$ > ) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
