-#
-# This file is part of the GROMACS molecular simulation package.
-#
-# Copyright (c) 2009-2011, by the VOTCA Development Team (http://www.votca.org).
-# Copyright (c) 2012,2013,2014, 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.
-
-# - Finds parts of GROMACS
-# Find the native GROMACS components headers and libraries.
-#
-# GROMACS_INCLUDE_DIRS - where to find GROMACS headers.
-# GROMACS_LIBRARIES - List of libraries when used by GROMACS.
-# GROMACS_FOUND - True if all GROMACS components were found.
-# GROMACS_DEFINITIONS - Extra definies needed by GROMACS
-# GROMACS_PKG - The name of the pkg-config package needed
-# GROMACS_VERSION - GROMACS lib interface version
-# GROMACS_MAJOR_VERSION - GROMACS lib interface major version
-# GROMACS_MINOR_VERSION - GROMACS lib interface minor version
-# GROMACS_PATCH_LEVEL - GROMACS lib interface patch level
-# GROMACS_VERSION_STRING - GROMACS lib interface version string (e.g. "4.5.3")
-#
-
-find_package(PkgConfig)
-list(LENGTH GROMACS_FIND_COMPONENTS GROMACS_NUM_COMPONENTS_WANTED)
-if(${GROMACS_NUM_COMPONENTS_WANTED} LESS 1)
- message(FATAL_ERROR "find_package(GROMACS) needs to be supplied with the name of a GROMACS component for which it can search")
-elseif(${GROMACS_NUM_COMPONENTS_WANTED} GREATER 1)
- message(FATAL_ERROR "We only support finding one GROMACS component at this point, go and implement it ;-)")
-elseif(${GROMACS_FIND_COMPONENTS} MATCHES "^lib(gmx|gromacs)(_d)?$")
- set(GROMACS_PKG "${GROMACS_FIND_COMPONENTS}")
- string(REGEX REPLACE "^lib(.*)" "\\1" GROMACS_LIBRARY_NAME "${GROMACS_PKG}")
-else()
- message(FATAL_ERROR "We do not support finding ${GROMACS_FIND_COMPONENTS}, go and implement it ;-)")
-endif()
-
-if(GMX_DOUBLE AND NOT "${GROMACS_PKG}" MATCHES "_d$")
- message(FATAL_ERROR "GMX_DOUBLE was true, but I was asked to find ${GROMACS_PKG} (without _d at the end) - illogical!")
-endif(GMX_DOUBLE AND NOT "${GROMACS_PKG}" MATCHES "_d$")
-if(NOT GMX_DOUBLE AND "${GROMACS_PKG}" MATCHES "_d$")
- message(FATAL_ERROR "GMX_DOUBLE was false, but I was asked to find ${GROMACS_PKG} (with _d at the end) - illogical!")
-endif(NOT GMX_DOUBLE AND "${GROMACS_PKG}" MATCHES "_d$")
-
-pkg_check_modules(PC_GROMACS ${GROMACS_PKG})
-if (GMX_DOUBLE)
- list(APPEND GMX_DEFS "-DGMX_DOUBLE")
-endif(GMX_DOUBLE)
-if (PC_GROMACS_CFLAGS_OTHER)
- foreach(DEF ${PC_GROMACS_CFLAGS_OTHER})
- if (${DEF} MATCHES "^-D")
- list(APPEND GMX_DEFS ${DEF})
- endif (${DEF} MATCHES "^-D")
- endforeach(DEF)
- list(REMOVE_DUPLICATES GMX_DEFS)
-endif (PC_GROMACS_CFLAGS_OTHER)
-set(GROMACS_DEFINITIONS "${GMX_DEFS}" CACHE STRING "extra GROMACS definitions")
-
-find_library(GROMACS_LIBRARY NAMES ${GROMACS_LIBRARY_NAME}
- HINTS ${PC_GROMACS_LIBRARY_DIRS} @CMAKE_INSTALL_PREFIX@/@LIB_INSTALL_DIR@)
-if (GROMACS_LIBRARY)
- if("${GROMACS_LIBRARY}" MATCHES "lib(gmx|gromacs)[^;]*\\.a")
- if(PC_GROMACS_LIBRARIES)
- list(REMOVE_ITEM PC_GROMACS_LIBRARIES ${GROMACS_LIBRARY_NAME})
- foreach (LIB ${PC_GROMACS_LIBRARIES})
- find_library(GROMACS_${LIB} NAMES ${LIB}
- HINTS ${PC_GROMACS_LIBRARY_DIRS} @CMAKE_INSTALL_PREFIX@/@INCL_INSTALL_DIR@)
- list(APPEND GMX_DEP_LIBRARIES ${GROMACS_${LIB}})
- unset(GROMACS_${LIB} CACHE)
- endforeach(LIB)
- endif(PC_GROMACS_LIBRARIES)
- if(PC_GROMACS_CFLAGS_OTHER)
- foreach(LIB ${PC_GROMACS_CFLAGS_OTHER})
- if (${LIB} MATCHES "thread")
- find_package(Threads REQUIRED)
- list(APPEND GMX_DEP_LIBRARIES ${CMAKE_THREAD_LIBS_INIT})
- endif (${LIB} MATCHES "thread")
- endforeach(LIB)
- endif(PC_GROMACS_CFLAGS_OTHER)
- set(GROMACS_DEP_LIBRARIES "${GMX_DEP_LIBRARIES}" CACHE FILEPATH "GROMACS depency libs (only needed for static (.a) ${GROMACS_LIBRARY}")
- endif("${GROMACS_LIBRARY}" MATCHES "lib(gmx|gromacs)[^;]*\\.a")
- include(CheckLibraryExists)
- check_library_exists("${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}" GromacsVersion "" FOUND_GROMACS_VERSION)
- if(NOT FOUND_GROMACS_VERSION)
- message(FATAL_ERROR "Could not find GromacsVersion in ${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}, take look at the error message in ${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeError.log to find out what was going wrong. If you don't have pkg-config installed you will most likely have to set GROMACS_LIBRARY and GROMACS_DEP_LIBRARY by hand which sets the GROMACS lib and its depencies (e.g. -DGROMACS_LIBRARY='/path/to/libgmx.so' -DGROMACS_DEP_LIBRARIES='/path/to/libblas.so;/path/to/libm.so') !")
- endif(NOT FOUND_GROMACS_VERSION)
- check_library_exists("${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}" init_mtop "" FOUND_GROMACS_INIT_MTOP)
- if(NOT FOUND_GROMACS_INIT_MTOP)
- message(FATAL_ERROR "Could not find init_mtop in the GROMACS library, take look at the error message in ${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeError.log to find out what was going wrong. This most likely means that your GROMACS version is too old, we need at least GROMACS 4.0.7.")
- endif(NOT FOUND_GROMACS_INIT_MTOP)
- set(GROMACS_VERSION 40000)
- check_library_exists("${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}" output_env_done "" FOUND_GROMACS_OUTPUT_ENV_DONE)
- if(FOUND_GROMACS_OUTPUT_ENV_DONE)
- set(GROMACS_VERSION 40500)
- endif(FOUND_GROMACS_OUTPUT_ENV_DONE)
- check_library_exists("${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}" gmx_nonbonded_setup "" FOUND_GROMACS_GMX_NONBONDED_SETUP)
- if(FOUND_GROMACS_GMX_NONBONDED_SETUP)
- set(GROMACS_VERSION 40600)
- endif(FOUND_GROMACS_GMX_NONBONDED_SETUP)
- check_library_exists("${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}" init_domdec_vsites "" FOUND_GROMACS_INIT_DOMDEC_VSITES)
- if(FOUND_GROMACS_INIT_DOMDEC_VSITES)
- set(GROMACS_VERSION 50000)
- endif(FOUND_GROMACS_INIT_DOMDEC_VSITES)
- set(GROMACS_VERSION ${GROMACS_VERSION} CACHE STRING "GROMACS lib interface version")
-else(GROMACS_LIBRARY)
- set(GROMACS_VERSION 40500)
-endif (GROMACS_LIBRARY)
-
-math(EXPR GROMACS_MAJOR_VERSION "${GROMACS_VERSION} / 10000")
-math(EXPR GROMACS_MINOR_VERSION "${GROMACS_VERSION} / 100 % 100")
-math(EXPR GROMACS_PATCH_LEVEL "${GROMACS_VERSION} % 100")
-set(GROMACS_VERSION_STRING "${GROMACS_MAJOR_VERSION}.${GROMACS_MINOR_VERSION}.${GROMACS_PATCH_LEVEL}")
-
-if ("${GROMACS_PKG}" MATCHES "libgmx")
- if (${GROMACS_VERSION} EQUAL 40000)
- find_path(GROMACS_INCLUDE_DIR tpxio.h HINTS ${PC_GROMACS_INCLUDE_DIRS})
- else(${GROMACS_VERSION} EQUAL 40000)
- find_path(GROMACS_INCLUDE_DIR gromacs/tpxio.h HINTS ${PC_GROMACS_INCLUDE_DIRS})
- endif(${GROMACS_VERSION} EQUAL 40000)
-elseif("${GROMACS_PKG}" MATCHES "libgromacs")
- find_path(GROMACS_INCLUDE_DIR gromacs/version.h HINTS ${PC_GROMACS_INCLUDE_DIRS})
-endif("${GROMACS_PKG}" MATCHES "libgmx")
-
-set(GROMACS_LIBRARIES "${GROMACS_LIBRARY};${GROMACS_DEP_LIBRARIES}" )
-set(GROMACS_INCLUDE_DIRS ${GROMACS_INCLUDE_DIR} )
-if (PC_GROMACS_INCLUDE_DIRS)
- list(APPEND GROMACS_INCLUDE_DIRS ${PC_GROMACS_INCLUDE_DIRS})
-endif(PC_GROMACS_INCLUDE_DIRS)
-
-include(FindPackageHandleStandardArgs)
-# handle the QUIETLY and REQUIRED arguments and set GROMACS_FOUND to TRUE
-# if all listed variables are TRUE
-find_package_handle_standard_args(GROMACS DEFAULT_MSG GROMACS_LIBRARY GROMACS_INCLUDE_DIR)
-
-mark_as_advanced(GROMACS_INCLUDE_DIR GROMACS_LIBRARY GROMACS_DEFINITIONS GROMACS_PKG GROMACS_VERSION GROMACS_DEP_LIBRARIES)