QUIPPY installation issue

[bose045]

I am trying to install QUIP and QUIPPY using make quippy. My makefile is:

MATH_LINKOPTS=-llapack -lblas PYTHON=/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/bin/python PIP=/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/bin/pip EXTRA_LINKOPTS= HAVE_CP2K=0 HAVE_VASP=1 HAVE_TB=0 HAVE_PRECON=1 HAVE_LOTF=1 HAVE_ONIOM=0 HAVE_LOCAL_E_MIX=0 HAVE_QC=0 HAVE_GAP=1 HAVE_DESCRIPTORS_NONCOMMERCIAL=1 HAVE_QR=1 HAVE_SCALAPACK=0 HAVE_THIRDPARTY=0 HAVE_FX=0 HAVE_SCME=0 HAVE_MTP=0 HAVE_MBD=0 HAVE_TTM_NF=0 HAVE_CH4=0 HAVE_NETCDF4=0 HAVE_MDCORE=0 HAVE_ASAP=0 HAVE_CGAL=0 HAVE_METIS=0 HAVE_LMTO_TBE=0 SIZEOF_FORTRAN_T=2

I am getting following error:

Traceback (most recent call last): File "/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/bin/f2py-f90wrap", line 10, in <module> sys.exit(main()) ^^^^^^ File "/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/lib/python3.12/site-packages/f90wrap/scripts/f2py_f90wrap.py", line 214, in main numpy.f2py.main() File "/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/lib/python3.12/site-packages/numpy/f2py/f2py2e.py", line 766, in main run_compile() File "/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/lib/python3.12/site-packages/numpy/f2py/f2py2e.py", line 738, in run_compile builder.compile() File "/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/lib/python3.12/site-packages/numpy/f2py/_backends/_meson.py", line 176, in compile self.sources = _prepare_sources(self.modulename, self.sources, self.build_dir) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/lib/python3.12/site-packages/numpy/f2py/_backends/_meson.py", line 192, in _prepare_sources shutil.copy(source, bdir) File "/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/lib/python3.12/shutil.py", line 435, in copy copyfile(src, dst, follow_symlinks=follow_symlinks) File "/xxxx/u/home/XXXX/XXXXxxxx/scratch-shared/miniconda3/envs/quip/lib/python3.12/shutil.py", line 240, in copyfile raise SameFileError("{!r} and {!r} are the same file".format(src, dst)) shutil.SameFileError: 'f90wrap_Atoms_types.f90' and './f90wrap_Atoms_types.f90' are the same file make[1]: *** [Makefile:118: quippy/_quippy.cpython-312-powerpc64le-linux-gnu.so] Error 1 make[1]: Leaving directory '/xxxx/u/scratch/XXXX/XXXXxxxx/git_repos/QUIP/build/linux_ppc64le_gfortran' make: *** [Makefile:230: quippy] Error 2

Any clue why is it trying to copy same files to same path? Any help is appreciated. Thanks.

[pzeiger]

I run into the same issue. Have you managed to fix it @bose045?

[13314400762]

I run into the same issue.