Forum - Spglib

Hello,

I confirmed that the result for the example of Spglib is correct by using NEC compiler version 4.0.0 with the attached patch.

$ git clone https://github.com/spglib/spglib.git
$ cd spglib
$ patch -p0 < spglib.patch
$ mkdir build
$ cd build
$ cmake -DCMAKE_TOOLCHAIN_FILE=/opt/nec/ve/share/cmake/toolchainVE.cmake -DCMAKE_INSTALL_PREFIX=<Spglib install path> ..
$ make
$ make install

C example

$ cd example
$ ncc -I<Spglib install path>/include/ -L<Spglib install path>/lib/ -lsymspg -fopenmp example.c -minit-stack=zero
$ export VE_LD_LIBRARY_PATH=${VE_LD_LIBRARY_PATH}:<Spglib install path>/lib/
$ ./a.out

Fortran example

$ cd fortran
$ make fc="nfort -minit-stack=zero" ldflags="-L<Spglib install path>/lib -Wl,-rpath,'<Spglib install path>/lib:<Spglib install path>' -fopenmp"

Python test

$ cd python
$ python3.7 -m pip install --user -e .
$ cd test
$ python3.7 test_spglib.py