diff --git a/lib/molfile/Makefile.lammps b/lib/molfile/Makefile.lammps new file mode 100644 index 0000000000000000000000000000000000000000..08118991a0cfb0e0f130bbd8cebf06bcf5f64026 --- /dev/null +++ b/lib/molfile/Makefile.lammps @@ -0,0 +1,37 @@ +# This file contains the hooks to build and link LAMMPS with the VMD +# molfile plugins described here: +# +# http://www.ks.uiuc.edu/Research/vmd/plugins/molfile +# +# When you build LAMMPS with the USER-MOLFILE package installed, it will +# use the 3 settings in this file. They should be set as follows. +# +# The molfile_SYSLIB setting is for a system dynamic loading library +# that will be used to load the molfile plugins. It contains functions +# like dlopen(), dlsym() and so on for dynamic linking of executable +# code into an executable. For Linux and most current Unix-like +# operating systems, the setting of "-ldl" will work. On some platforms +# you may need "-ldld". For compilation on Windows, a different +# mechanism is used that is part of the Windows programming environment +# and thus molfile_SYSLIB can be left blank. +# +# The molfile_SYSINC and molfile_SYSPATH variables do not typically need +# to be set. If the dl library is not in a place the linker can find +# it, specify its directory via the molfile_SYSPATH variable, e.g. +# -Ldir. + +# ----------------------------------------------------------- + +# Settings that the LAMMPS build will import when this package is installed + +molfile_SYSINC = +ifneq ($(LIBOBJDIR),/Obj_mingw32) +ifneq ($(LIBOBJDIR),/Obj_mingw64) +ifneq ($(LIBOBJDIR),/Obj_mingw32-mpi) +ifneq ($(LIBOBJDIR),/Obj_mingw64-mpi) +molfile_SYSLIB = -ldl +endif +endif +endif +endif +molfile_SYSPATH = diff --git a/lib/molfile/README b/lib/molfile/README new file mode 100644 index 0000000000000000000000000000000000000000..09ea3cc5c6fbc2f0849413e4df5abdd45b36a1ea --- /dev/null +++ b/lib/molfile/README @@ -0,0 +1,22 @@ +This directory has a Makefile.lammps file with settings that allows +LAMMPS to dynamically link to the VMD molfile library. This is +required to use the USER-MOLFILE package and its interface to the dump +and write_dump commands in a LAMMPS input script. + +More information about the VMD molfile plugins can be found at +http://www.ks.uiuc.edu/Research/vmd/plugins/molfile. + +More specifically, to be able to dynamically load and execute the +plugins from inside LAMMPS, you need to link with a system library +containing functions like dlopen(), dlsym() and so on for dynamic +linking of executable code into an executable. This library is +defined by setting the molfile_SYSLIB variable in the Makefile.lammps +file in this dir. + +For Linux and most current unix-like operating systems, this can be +kept at the default setting of "-ldl" (on some platforms this library +is called "-ldld"). For compilation on Windows, a slightly different +mechanism is used that is part of the Windows programming environment +and this library is not needed. + +See the header of Makefile.lammps for more info.