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band-unfolding / bandup

BandUP: Band Unfolding code for Plane-wave based calculations
http://www.ifm.liu.se/theomod/compphys/band-unfolding
GNU General Public License v3.0
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Compilation failure due to missing file (spglib) #24

Open jcavin13 opened 3 years ago

jcavin13 commented 3 years ago

ifort is returning an error stating that File not found: '/bandup-master/src/external/spglib-1.5.2/src/.libs/libsymspg.a' Sure enough, the file isn't there, and neither is the parent directory .libs

stepan-tsirkin commented 3 years ago

hi @jcavin13 , I see, the problem appears for me also

try entering directory bandup/src/external/spglib-1.5.2 and type 'make' . This will compile needed libraries

then do "build" in the bandup root directory again.

I will look how to fix this to make automatic.

jcavin13 commented 3 years ago

Thanks for the response! Unfortunately, trying make in that directory returns make: *** No targets specified and no makefile found. Stop.

stepan-tsirkin commented 3 years ago

Ok, if you enter bandup/src/external and type make spglib-1.5.2 ? Will it compile?

Airanyoung commented 2 years ago

Try to enter bandup/src/external/spglib-1.5.2, and type./configure and make; then go back to do "./build". It works.

bmondal94 commented 8 months ago

For future reference: as an alternative solution, modify line 55 in bandup/src/python_interface/bandupy/build.py from fcflag, cflag = '-openmp', '-openmp' to fcflag, cflag = '-qopenmp', '-qopenmp'.