allow overriding the location of the molfile plugin headers with CMake

endif()

if(PKG_USER-MOLFILE)

  set(MOLFILE_INCLUDE_DIRS "${LAMMPS_LIB_SOURCE_DIR}/molfile" CACHE STRING "Path to VMD molfile plugin headers")

  add_library(molfile INTERFACE)

  target_include_directories(molfile INTERFACE ${LAMMPS_LIB_SOURCE_DIR}/molfile)

  target_include_directories(molfile INTERFACE ${MOLFILE_INCLUDE_DIRS})

  target_link_libraries(molfile INTERFACE ${CMAKE_DL_LIBS})

  list(APPEND LAMMPS_LINK_LIBS molfile)

endif()

  add_definitions(-DLMP_HAS_NETCDF -DNC_64BIT_DATA=0x0020)

endif()

if(PKG_USER-SMD)

  option(DOWNLOAD_EIGEN3 "Download Eigen3 instead of using an already installed one)" OFF)

  if(DOWNLOAD_EIGEN3)

[CMake build]:

No additional settings are needed besides "-D PKG_USER-MOLFILE=yes".

-D MOLFILE_INCLUDE_DIRS=path   # (optional) path where VMD molfile plugin headers are installed

-D PKG_USER-MOLFILE=yes     :pre

Using "-D PKG_USER-MOLFILE=yes" enables the package, and setting

"-D MOLFILE_INCLUDE DIRS" allows to provide a custom location for

the molfile plugin header files. These should match the ABI of the

plugin files used, and thus one typically sets them to include

folder of the local VMD installation in use. LAMMPS ships with a

couple of default header files that correspond to a popular VMD

version, usually the latest release.

[Traditional make]:

is required for LAMMPS to link with this package.  If the setting is

not valid for your system, you will need to edit the Makefile.lammps

file.  See lib/molfile/README and lib/molfile/Makefile.lammps for

details.

details. It is also possible to configure a different folder with

the VMD molfile plugin header files. LAMMPS ships with a couple of

default headers, but these are not compatible with all VMD versions,

so it is often best to change this setting to the location of the

same include files of the local VMD installation in use.

:line