catastrophic error: cannot open source file "Python.h"

[zbwang]

Dear developers,

I would like to use ML_M3GNET potential in lammps you recently added. But when compiling your lammps version, I have the following error.

In file included from /home/zwang/repos/advancesoftcorp/lammps-based-on-lammps_2Jun2022/build/styles/style_pair.h(15),
                 from /home/zwang/repos/advancesoftcorp/lammps-based-on-lammps_2Jun2022/src/force.cpp(21):
/home/zwang/repos/advancesoftcorp/lammps-based-on-lammps_2Jun2022/src/ML-M3GNET/pair_m3gnet.h(17): catastrophic error: cannot open source file "Python.h"
  #include <Python.h>
                     ^

compilation aborted for /home/zwang/repos/advancesoftcorp/lammps-based-on-lammps_2Jun2022/src/force.cpp (code 4)
make[2]: *** [CMakeFiles/lammps.dir/home/zwang/repos/advancesoftcorp/lammps-based-on-lammps_2Jun2022/src/force.cpp.o] Error 4
make[1]: *** [CMakeFiles/lammps.dir/all] Error 2
make: *** [all] Error 2

It seems the error comes from the failure of finding Python headers. I used Python from miniconda. Could you please help look into this?

Thank you very much for the help!

Best, Zhenbin

[advancesoftcorp]

Please include Python.h when you compile. Python.h may be placed at ~/miniconda3/include/python3.9/ .