diff --git a/doc/src/Build_extras.rst b/doc/src/Build_extras.rst index 34a75b66dc..adbfa02952 100644 --- a/doc/src/Build_extras.rst +++ b/doc/src/Build_extras.rst @@ -741,7 +741,7 @@ MLIAP package Building the MLIAP package requires including the :ref:`SNAP ` package. There will be an error message if this requirement is not satisfied. Using the *mliappy* model also requires enabling the :ref:`PYTHON ` -package **and** requires you have the `cython `_ software +package **and** requires you have the `cython `_ software installed and with it a working ``cythonize`` command. This feature requires compiling LAMMPS with Python version 3.6 or later. @@ -765,16 +765,17 @@ compiling LAMMPS with Python version 3.6 or later. The build uses the ``lib/python/Makefile.mliap_python`` file in the compile/link process to add a rule to update the files generated by - the ``cythonize`` command in case the corresponding .pyx file was - modified. You may need to need to modify ``lib/python/Makefile.lammps`` + the ``cythonize`` command in case the corresponding .pyx file(s) were + modified. You may need to modify ``lib/python/Makefile.lammps`` if the LAMMPS build fails. - To manually enforce building MLIAP with Python support, you can add + To manually enforce building MLIAP with Python support enabled, + you can add ``-DMLIAP_PYTHON`` to the ``LMP_INC`` variable in your machine makefile. You may have to manually run the cythonize command on .pyx file(s) in the ``src`` folder, if this is not automatically done during installing the MLIAP package. Please do **not** run ``cythonize`` in the ``src/MLIAP`` folder, as that can lead to compilation errors - if PYTHON support is not included. + if Python support is not enabled. If you did by accident, please remove the generated .cpp and .h files. ----------