# # This file is part of the GROMACS molecular simulation package. # # Copyright (c) 2013, by the GROMACS development team, led by # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, # and including many others, as listed in the AUTHORS file in the # top-level source directory and at http://www.gromacs.org. # # GROMACS is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public License # as published by the Free Software Foundation; either version 2.1 # of the License, or (at your option) any later version. # # GROMACS is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU # Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public # License along with GROMACS; if not, see # http://www.gnu.org/licenses, or write to the Free Software Foundation, # Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. # # If you want to redistribute modifications to GROMACS, please # consider that scientific software is very special. Version # control is crucial - bugs must be traceable. We will be happy to # consider code for inclusion in the official distribution, but # derived work must not be called official GROMACS. Details are found # in the README & COPYING files - if they are missing, get the # official version at http://www.gromacs.org. # # To help us fund GROMACS development, we humbly ask that you cite # the research papers on the package. Check out http://www.gromacs.org. # The module defines the following variables: # VMD_EXECUTABLE - path to vmd command # GMX_VMD_PLUGIN_PATH - path to vmd plugins message(STATUS "Checking for suitable VMD version") find_program(VMD_EXECUTABLE NAMES vmd PATH_SUFFIXES bin DOC "VMD command") #set search path in increasing priority: # default path, vmd binary path, enviroment variable set(VMD_PATHS "/usr/local/lib/vmd/plugins/*/molfile/") if(VMD_EXECUTABLE) file(STRINGS "${VMD_EXECUTABLE}" VMDDIR REGEX "^defaultvmddir=.*$") string(REGEX REPLACE "(^.*=\"?|\"$)" "" VMDDIR "${VMDDIR}") list(INSERT VMD_PATHS 0 "${VMDDIR}/plugins/*/molfile/") endif() if(NOT "$ENV{VMDDIR}" STREQUAL "") list(INSERT VMD_PATHS 0 "$ENV{VMDDIR}/plugins/*/molfile/") endif() #xyz is just an example. Any other molfile plugin could be used. #But some require extra link flags. VMD uses ".so" even on Windows. find_library(VMDXYZPLUGIN NAME "xyzplugin.so" PATHS ${VMD_PATHS}) if (VMDXYZPLUGIN) try_run(TESTVMD TESTVMD_COMPILED ${CMAKE_BINARY_DIR} "${CMAKE_SOURCE_DIR}/cmake/TestVMD.c" CMAKE_FLAGS "-DLINK_LIBRARIES=${CMAKE_DL_LIBS}" "-DINCLUDE_DIRECTORIES=${CMAKE_SOURCE_DIR}/src/gmxlib" COMPILE_DEFINITIONS "-DGMX_USE_PLUGINS" RUN_OUTPUT_VARIABLE TESTVMD_OUTPUT ARGS ${VMDXYZPLUGIN}) endif() if(NOT TESTVMD EQUAL 0) if (NOT VMDXYZPLUGIN) message(STATUS "VMD plugins not found. Path to VMD can be set with VMDDIR.") elseif(NOT TESTVMD_COMPILED) message(STATUS "Could not compile VMD version check") elseif(TESTVMD EQUAL 1) message(STATUS "Could not load VMD plugin ${VMDXYZPLUGIN}: ${TESTVMD_OUTPUT}") elseif(TESTVMD EQUAL 5) message(STATUS "VMD plugin ${VMDXYZPLUGIN} too old. VMD 1.8.6 required.") else() message(STATUS "Could not identify VMD version of ${VMDXYZPLUGIN}. Error: ${TESTVMD}") endif() # This permits GROMACS to avoid hard-coding a fall-back path. # Fall-back is useful in case VMD is installed later. set(GMX_VMD_PLUGIN_PATH "/usr/local/lib/vmd/plugins/*/molfile" CACHE PATH "Path to VMD plugins for molfile I/O" FORCE) else() get_filename_component(VMD_PLUGIN_PATH ${VMDXYZPLUGIN} PATH) message(STATUS "VMD version of ${VMD_PLUGIN_PATH} is suitable") set(GMX_VMD_PLUGIN_PATH ${VMD_PLUGIN_PATH} CACHE PATH "Path to VMD plugins for molfile I/O" FORCE) endif() mark_as_advanced(GMX_VMD_PLUGIN_PATH) #Nothing is rerun unless GMX_VMD_PLUGIN_PATH is set to NO. Clean-up all. unset(VMDXYZPLUGIN CACHE) unset(VMD_EXECUTABLE CACHE) unset(TESTVMD CACHE) unset(TESTVMD_COMPILED CACHE) unset(VMD_PATHS) unset(VMD_PLUGIN_PATH) unset(VMDDIR)