${GMX_PUBLIC_LIBRARIES}
)
target_link_libraries(libgromacs PUBLIC legacy_api)
-
+# Dependencies from libgromacs to the modules are set up here, but
+# once the add_subdirectory() commands are re-ordered then
+# responsibility for setting this up will move to the respective
+# modules.
+target_link_libraries(libgromacs PRIVATE
+ $<BUILD_INTERFACE:analysisdata>
+ $<BUILD_INTERFACE:applied_forces>
+ $<BUILD_INTERFACE:commandline>
+ $<BUILD_INTERFACE:compat>
+ $<BUILD_INTERFACE:coordinateio>
+ $<BUILD_INTERFACE:correlationfunctions>
+ $<BUILD_INTERFACE:domdec>
+# $<BUILD_INTERFACE:energyanalysis>
+ $<BUILD_INTERFACE:essentialdynamics>
+ $<BUILD_INTERFACE:ewald>
+ $<BUILD_INTERFACE:fft>
+ $<BUILD_INTERFACE:fileio>
+ $<BUILD_INTERFACE:gmxana>
+ $<BUILD_INTERFACE:gmxlib>
+ $<BUILD_INTERFACE:gmxpreprocess>
+ $<BUILD_INTERFACE:gpu_utils>
+ $<BUILD_INTERFACE:hardware>
+ $<BUILD_INTERFACE:imd>
+ $<BUILD_INTERFACE:linearalgebra>
+ $<BUILD_INTERFACE:listed_forces>
+ $<BUILD_INTERFACE:math>
+ $<BUILD_INTERFACE:mdlib>
+ $<BUILD_INTERFACE:mdrun>
+ $<BUILD_INTERFACE:mdrunutility>
+ $<BUILD_INTERFACE:mdspan>
+ $<BUILD_INTERFACE:mdtypes>
+ $<BUILD_INTERFACE:mimic>
+ $<BUILD_INTERFACE:modularsimulator>
+ $<BUILD_INTERFACE:nbnxm>
+ $<BUILD_INTERFACE:onlinehelp>
+ $<BUILD_INTERFACE:options>
+ $<BUILD_INTERFACE:pbcutil>
+ $<BUILD_INTERFACE:pulling>
+ $<BUILD_INTERFACE:random>
+ $<BUILD_INTERFACE:restraint>
+ $<BUILD_INTERFACE:selection>
+ $<BUILD_INTERFACE:simd>
+ $<BUILD_INTERFACE:statistics>
+ $<BUILD_INTERFACE:swap>
+ $<BUILD_INTERFACE:tables>
+ $<BUILD_INTERFACE:taskassignment>
+ $<BUILD_INTERFACE:timing>
+ $<BUILD_INTERFACE:tools>
+ $<BUILD_INTERFACE:topology>
+ $<BUILD_INTERFACE:trajectory>
+ $<BUILD_INTERFACE:trajectoryanalysis>
+ $<BUILD_INTERFACE:utility>
+ )
if (GMX_OPENMP)
target_link_libraries(libgromacs PUBLIC OpenMP::OpenMP_CXX)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(analysisdata INTERFACE)
file(GLOB ANALYSISDATA_SOURCES *.cpp modules/*.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${ANALYSISDATA_SOURCES} PARENT_SCOPE)
DESTINATION include/gromacs/analysisdata)
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(analysisdata PRIVATE
+# gmxlib
+# math
+# mdtypes
+# tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(analysisdata PUBLIC
+target_include_directories(analysisdata INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(analysisdata PUBLIC
+target_link_libraries(analysisdata INTERFACE
+ legacy_api
+ )
+
+# TODO: when analysisdata is an OBJECT target
+#target_link_libraries(analysisdata PUBLIC legacy_api)
+#target_link_libraries(analysisdata PRIVATE common)
+
+# Module dependencies
+# analysisdata interfaces convey transitive dependence on these modules.
+#target_link_libraries(analysisdata PUBLIC
+target_link_libraries(analysisdata INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(analysisdata PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(analysisdata PRIVATE legacy_modules)
add_subdirectory(modules)
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(applied_forces INTERFACE)
+
+# Source files have the following private module dependencies.
+target_link_libraries(applied_forces PRIVATE
+ # gmxlib
+ # math
+ # mdtypes
+ # tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(applied_forces PUBLIC
+target_include_directories(applied_forces INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(applied_forces PUBLIC
+target_link_libraries(applied_forces INTERFACE
+ legacy_api
+ )
+
+# TODO: when fileio is an OBJECT target
+#target_link_libraries(applied_forces PUBLIC legacy_api)
+#target_link_libraries(applied_forces PRIVATE common)
+
+# Module dependencies
+# This module convey transitive dependence on these modules.
+#target_link_libraries(applied_forces PUBLIC
+target_link_libraries(applied_forces INTERFACE
+ # utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(applied_forces PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(applied_forces PRIVATE legacy_modules)
+
gmx_add_libgromacs_sources(
electricfield.cpp
)
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(commandline INTERFACE)
file(GLOB COMMANDLINE_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${COMMANDLINE_SOURCES} PARENT_SCOPE)
+# Source files have the following private module dependencies.
+target_link_libraries(commandline PRIVATE
+# gmxlib
+# math
+# mdtypes
+# tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(commandline PUBLIC
+target_include_directories(commandline INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(commandline PUBLIC
+target_link_libraries(commandline INTERFACE
+ legacy_api
+ )
+
+# TODO: when commandline is an OBJECT target
+#target_link_libraries(commandline PUBLIC legacy_api)
+#target_link_libraries(commandline PRIVATE common)
+
+# Module dependencies
+# commandline interfaces convey transitive dependence on these modules.
+#target_link_libraries(commandline PUBLIC
+target_link_libraries(commandline INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(commandline PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(commandline PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(compat INTERFACE)
+
+# Source files have the following private module dependencies.
+target_link_libraries(compat PRIVATE
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(compat PUBLIC
+target_include_directories(compat INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(compat PUBLIC
+target_link_libraries(compat INTERFACE
+ legacy_api
+ )
+
+# TODO: when compat is an OBJECT target
+#target_link_libraries(compat PUBLIC legacy_api)
+#target_link_libraries(compat PRIVATE common)
+
+# Module dependencies
+# compat interfaces convey transitive dependence on these modules.
+#target_link_libraries(compat PUBLIC
+target_link_libraries(compat INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(compat PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(compat PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2019, by the GROMACS development team, led by
+# Copyright (c) 2019,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(coordinateio INTERFACE)
file(GLOB COORDINATEIO_SOURCES *.cpp outputadapters/*.cpp)
-
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${COORDINATEIO_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(coordinateio PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(coordinateio PUBLIC
+target_include_directories(coordinateio INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(coordinateio PUBLIC
+target_link_libraries(coordinateio INTERFACE
+ legacy_api
+ )
+
+# TODO: when coordinateio is an OBJECT target
+#target_link_libraries(coordinateio PUBLIC legacy_api)
+#target_link_libraries(coordinateio PRIVATE common)
+
+# Module dependencies
+# coordinateio interfaces convey transitive dependence on these modules.
+#target_link_libraries(coordinateio PUBLIC
+target_link_libraries(coordinateio INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(coordinateio PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(coordinateio PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2014,2015,2016, by the GROMACS development team, led by
+# Copyright (c) 2014,2015,2016,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(correlationfunctions INTERFACE)
+
file(GLOB GMXCORRFUNC_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${GMXCORRFUNC_SOURCES} PARENT_SCOPE)
+
+# Source files have the following private module dependencies.
+target_link_libraries(correlationfunctions PRIVATE
+ # gmxlib
+ # math
+ # mdtypes
+ # tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(correlationfunctions PUBLIC
+target_include_directories(correlationfunctions INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(correlationfunctions PUBLIC
+target_link_libraries(correlationfunctions INTERFACE
+ legacy_api
+ )
+
+# TODO: when fileio is an OBJECT target
+#target_link_libraries(correlationfunctions PUBLIC legacy_api)
+#target_link_libraries(correlationfunctions PRIVATE common)
+
+# Module dependencies
+# This module convey transitive dependence on these modules.
+#target_link_libraries(correlationfunctions PUBLIC
+target_link_libraries(correlationfunctions INTERFACE
+ # utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(correlationfunctions PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(correlationfunctions PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(domdec INTERFACE)
file(GLOB DOMDEC_SOURCES *.cpp)
if(GMX_GPU_CUDA)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${DOMDEC_SOURCES} ${DOMDEC_CUDA_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(domdec PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(domdec PUBLIC
+target_include_directories(domdec INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(domdec PUBLIC
+target_link_libraries(domdec INTERFACE
+ legacy_api
+ )
+
+# TODO: when domdec is an OBJECT target
+#target_link_libraries(domdec PUBLIC legacy_api)
+#target_link_libraries(domdec PRIVATE common)
+
+# Module dependencies
+# domdec interfaces convey transitive dependence on these modules.
+#target_link_libraries(domdec PUBLIC
+target_link_libraries(domdec INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(domdec PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(domdec PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2014,2015, by the GROMACS development team, led by
+# Copyright (c) 2014,2015,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(essentialdynamics INTERFACE)
+
file(GLOB ESSENTIALDYNAMICS_SOURCES *.cpp)
+
+# Source files have the following private module dependencies.
+target_link_libraries(essentialdynamics PRIVATE
+ # gmxlib
+ # math
+ # mdtypes
+ # tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(essentialdynamics PUBLIC
+target_include_directories(essentialdynamics INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(essentialdynamics PUBLIC
+target_link_libraries(essentialdynamics INTERFACE
+ legacy_api
+ )
+
+# TODO: when fileio is an OBJECT target
+#target_link_libraries(fileio PUBLIC legacy_api)
+#target_link_libraries(fileio PRIVATE common)
+
+# Module dependencies
+# fileio interfaces convey transitive dependence on these modules.
+#target_link_libraries(essentialdynamics PUBLIC
+target_link_libraries(essentialdynamics INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(essentialdynamics PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(essentialdynamics PRIVATE legacy_modules)
+
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${ESSENTIALDYNAMICS_SOURCES} PARENT_SCOPE)
if (BUILD_TESTING)
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(ewald INTERFACE)
gmx_add_libgromacs_sources(
calculate_spline_moduli.cpp
ewald.cpp
)
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(ewald PRIVATE
+ # gmxlib
+ # math
+ # mdtypes
+ # tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(ewald PUBLIC
+target_include_directories(ewald INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(ewald PUBLIC
+target_link_libraries(ewald INTERFACE
+ legacy_api
+ )
+
+# TODO: when fileio is an OBJECT target
+#target_link_libraries(ewald PUBLIC legacy_api)
+#target_link_libraries(ewald PRIVATE common)
+
+# Module dependencies
+# This module convey transitive dependence on these modules.
+#target_link_libraries(ewald PUBLIC
+target_link_libraries(ewald INTERFACE
+ # utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(ewald PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(ewald PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2013,2014,2015,2018,2019, by the GROMACS development team, led by
+# Copyright (c) 2013,2014,2015,2018,2019,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(fft INTERFACE)
+
gmx_add_libgromacs_sources(
calcgrid.cpp
fft.cpp
gmx_add_libgromacs_sources(fft_mkl.cpp)
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(fft PRIVATE
+ # gmxlib
+ # math
+ # mdtypes
+ # tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(fft PUBLIC
+target_include_directories(fft INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(fft PUBLIC
+target_link_libraries(fft INTERFACE
+ legacy_api
+ )
+
+# TODO: when fft is an OBJECT target
+#target_link_libraries(fft PUBLIC legacy_api)
+#target_link_libraries(fft PRIVATE common)
+
+# Module dependencies
+# This module convey transitive dependence on these modules.
+#target_link_libraries(fft PUBLIC
+target_link_libraries(fft INTERFACE
+ # utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(fft PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(fft PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(fileio INTERFACE)
file(GLOB FILEIO_SOURCES *.cpp)
if(GMX_USE_PLUGINS)
list(FILTER FILEIO_SOURCES EXCLUDE REGEX ".*vmdio.cpp$")
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(fileio PRIVATE
+# gmxlib
+# math
+# mdtypes
+# tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(fileio PUBLIC
+target_include_directories(fileio INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(fileio PUBLIC
+target_link_libraries(fileio INTERFACE
+ legacy_api
+ )
+
+# TODO: when fileio is an OBJECT target
+#target_link_libraries(fileio PUBLIC legacy_api)
+#target_link_libraries(fileio PRIVATE common)
+
+# Module dependencies
+# fileio interfaces convey transitive dependence on these modules.
+#target_link_libraries(fileio PUBLIC
+target_link_libraries(fileio INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(fileio PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(fileio PRIVATE legacy_modules)
+
target_sources(libgromacs PRIVATE ${FILEIO_SOURCES})
if (BUILD_TESTING)
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(gmxana INTERFACE)
+
file(GLOB GMXANA_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${GMXANA_SOURCES} PARENT_SCOPE)
+# Source files have the following private module dependencies.
+target_link_libraries(gmxana PRIVATE
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(gmxana PUBLIC
+target_include_directories(gmxana INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(gmxana PUBLIC
+target_link_libraries(gmxana INTERFACE
+ legacy_api
+ )
+
+# TODO: when gmxana is an OBJECT target
+#target_link_libraries(gmxana PUBLIC legacy_api)
+#target_link_libraries(gmxana PRIVATE common)
+
+# Module dependencies
+# gmxana interfaces convey transitive dependence on these modules.
+#target_link_libraries(gmxana PUBLIC
+target_link_libraries(gmxana INTERFACE
+ utility
+ )
+
if(BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(gmxlib INTERFACE)
+
add_subdirectory(nonbonded)
# The nonbonded directory contains subdirectories that are only
set(GMXLIB_SOURCES ${GMXLIB_SOURCES} ${NONBONDED_SOURCES} PARENT_SCOPE)
+# Source files have the following private module dependencies.
+target_link_libraries(gmxlib PRIVATE
+ # gmxlib
+ # math
+ # mdtypes
+ # tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(gmxlib PUBLIC
+target_include_directories(gmxlib INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(gmxlib PUBLIC
+target_link_libraries(gmxlib INTERFACE
+ legacy_api
+ )
+
+# TODO: when fileio is an OBJECT target
+#target_link_libraries(gmxlib PUBLIC legacy_api)
+#target_link_libraries(gmxlib PRIVATE common)
+
+# Module dependencies
+# fileio interfaces convey transitive dependence on these modules.
+#target_link_libraries(gmxlib PUBLIC
+target_link_libraries(gmxlib INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(gmxlib PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(gmxlib PRIVATE legacy_modules)
+
# if(BUILD_TESTING)
# add_subdirectory(tests)
# endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2011,2013,2014,2015, by the GROMACS development team, led by
+# Copyright (c) 2011,2013,2014,2015,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(gmxpreprocess INTERFACE)
+
file(GLOB GMXPREPROCESS_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${GMXPREPROCESS_SOURCES} PARENT_SCOPE)
+# Source files have the following private module dependencies.
+target_link_libraries(gmxpreprocess PRIVATE
+ # gmxlib
+ # math
+ # mdtypes
+ # tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(gmxpreprocess PUBLIC
+target_include_directories(gmxpreprocess INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(gmxpreprocess PUBLIC
+target_link_libraries(gmxpreprocess INTERFACE
+ legacy_api
+ )
+
+# TODO: when is an OBJECT target
+#target_link_libraries(gmxpreprocess PUBLIC legacy_api)
+#target_link_libraries(gmxpreprocess PRIVATE common)
+
+# Module dependencies
+# This module convey transitive dependence on these modules.
+#target_link_libraries(gmxpreprocess PUBLIC
+target_link_libraries(gmxpreprocess INTERFACE
+ # utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(gmxpreprocess PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(gmxpreprocess PRIVATE legacy_modules)
+
if(BUILD_TESTING)
add_subdirectory(tests)
endif()
# the incidence of textual clashes when adding/moving files that
# otherwise make the end of the list a hotspot.
+add_library(gpu_utils INTERFACE)
+
gmx_add_libgromacs_sources(
clfftinitializer.cpp
device_stream_manager.cpp
)
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(gpu_utils PRIVATE
+# gmxlib
+# math
+# mdtypes
+# tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(gpu_utils PUBLIC
+target_include_directories(gpu_utils INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(gpu_utils PUBLIC
+target_link_libraries(gpu_utils INTERFACE
+ legacy_api
+ )
+
+# TODO: when gpu_utils is an OBJECT target
+#target_link_libraries(gpu_utils PUBLIC legacy_api)
+#target_link_libraries(gpu_utils PRIVATE common)
+
+# Module dependencies
+# gpu_utils interfaces convey transitive dependence on these modules.
+#target_link_libraries(gpu_utils PUBLIC
+target_link_libraries(gpu_utils INTERFACE
+# utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(gpu_utils PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(gpu_utils PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(hardware INTERFACE)
gmx_add_libgromacs_sources(
cpuinfo.cpp
detecthardware.cpp
)
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(hardware PRIVATE
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(hardware PUBLIC
+target_include_directories(hardware INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(hardware PUBLIC
+target_link_libraries(hardware INTERFACE
+ legacy_api
+ )
+
+# TODO: when hardware is an OBJECT target
+#target_link_libraries(hardware PUBLIC legacy_api)
+#target_link_libraries(hardware PRIVATE common)
+
+# Module dependencies
+# hardware interfaces convey transitive dependence on these modules.
+#target_link_libraries(hardware PUBLIC
+target_link_libraries(hardware INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(hardware PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(hardware PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2014,2015, by the GROMACS development team, led by
+# Copyright (c) 2014,2015,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(imd INTERFACE)
file(GLOB IMD_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${IMD_SOURCES} PARENT_SCOPE)
+
+# Source files have the following private module dependencies.
+target_link_libraries(imd PRIVATE
+# gmxlib
+# math
+# mdtypes
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(imd PUBLIC
+target_include_directories(imd INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(imd PUBLIC
+target_link_libraries(imd INTERFACE
+ legacy_api
+ )
+
+# TODO: when imd is an OBJECT target
+#target_link_libraries(imd PUBLIC legacy_api)
+#target_link_libraries(imd PRIVATE common)
+
+# Module dependencies
+# imd interfaces convey transitive dependence on these modules.
+#target_link_libraries(imd PUBLIC
+target_link_libraries(imd INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(imd PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(imd PRIVATE legacy_modules)
${LINEARALGEBRA_SOURCES} ${BLAS_SOURCES} ${LAPACK_SOURCES})
add_library(linearalgebra OBJECT ${LINEARALGEBRA_SOURCES})
-target_include_directories(linearalgebra PRIVATE ${CMAKE_CURRENT_SOURCE_DIR})
# TODO: Only expose the module's public headers.
-target_include_directories(linearalgebra INTERFACE ${CMAKE_CURRENT_SOURCE_DIR})
+target_include_directories(linearalgebra INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+target_include_directories(linearalgebra PRIVATE ${CMAKE_CURRENT_SOURCE_DIR})
gmx_target_compile_options(linearalgebra)
target_compile_definitions(linearalgebra PRIVATE HAVE_CONFIG_H)
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(listed_forces INTERFACE)
gmx_add_libgromacs_sources(
bonded.cpp
disre.cpp
)
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(listed_forces PRIVATE
+# gmxlib
+# math
+# mdtypes
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(listed_forces PUBLIC
+target_include_directories(listed_forces INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(listed_forces PUBLIC
+target_link_libraries(listed_forces INTERFACE
+ legacy_api
+ )
+
+# TODO: when listed_forces is an OBJECT target
+#target_link_libraries(listed_forces PUBLIC legacy_api)
+#target_link_libraries(listed_forces PRIVATE common)
+
+# Module dependencies
+# listed_forces interfaces convey transitive dependence on these modules.
+#target_link_libraries(listed_forces PUBLIC
+target_link_libraries(listed_forces INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(listed_forces PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(listed_forces PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(math INTERFACE)
+
file(GLOB MATH_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${MATH_SOURCES} PARENT_SCOPE)
+# Source files have the following private module dependencies.
+target_link_libraries(math PRIVATE
+ # gmxlib
+ # math
+ # mdtypes
+ # tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(math PUBLIC
+target_include_directories(math INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(math PUBLIC
+target_link_libraries(math INTERFACE
+ legacy_api
+ )
+
+# TODO: when fileio is an OBJECT target
+#target_link_libraries(math PUBLIC legacy_api)
+#target_link_libraries(math PRIVATE common)
+
+# Module dependencies
+# fileio interfaces convey transitive dependence on these modules.
+#target_link_libraries(math PUBLIC
+target_link_libraries(math INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(math PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(math PRIVATE legacy_modules)
+
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(mdlib INTERFACE)
+
file(GLOB MDLIB_SOURCES *.cpp)
set(MDLIB_SOURCES ${MDLIB_SOURCES} PARENT_SCOPE)
-if (BUILD_TESTING)
- add_subdirectory(tests)
-endif()
if(GMX_GPU_CUDA)
gmx_add_libgromacs_sources(
leapfrog_gpu.cu
)
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(mdlib PRIVATE
+# gmxlib
+# math
+# mdtypes
+# tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(mdlib PUBLIC
+target_include_directories(mdlib INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(mdlib PUBLIC
+target_link_libraries(mdlib INTERFACE
+ legacy_api
+ )
+
+# TODO: when mdlib is an OBJECT target
+#target_link_libraries(mdlib PUBLIC legacy_api)
+#target_link_libraries(mdlib PRIVATE common)
+
+# Module dependencies
+# mdlib interfaces convey transitive dependence on these modules.
+#target_link_libraries(mdlib PUBLIC
+target_link_libraries(mdlib INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(mdlib PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(mdlib PRIVATE legacy_modules)
+
+if (BUILD_TESTING)
+ add_subdirectory(tests)
+endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(mdrun INTERFACE)
gmx_add_libgromacs_sources(
legacymdrunoptions.cpp
legacysimulator.cpp
tpi.cpp
)
+# Source files have the following private module dependencies.
+target_link_libraries(mdrun PRIVATE
+# gmxlib
+# math
+# mdtypes
+# tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(mdrun PUBLIC
+target_include_directories(mdrun INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(mdrun PUBLIC
+target_link_libraries(mdrun INTERFACE
+ legacy_api
+ )
+
+# TODO: when mdrun is an OBJECT target
+#target_link_libraries(mdrun PUBLIC legacy_api)
+#target_link_libraries(mdrun PRIVATE common)
+
+# Module dependencies
+# mdrun interfaces convey transitive dependence on these modules.
+#target_link_libraries(mdrun PUBLIC
+target_link_libraries(mdrun INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(mdrun PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(mdrun PRIVATE legacy_modules)
+
# TODO: Find a home for this header and a scheme for installation.
# This header straddles the installed libraries and is a transitive interface
# from libgromacs to libgmxapi to libgmxapi clients. Near term efforts are
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(mdrunutility INTERFACE)
gmx_add_libgromacs_sources(
handlerestart.cpp
logging.cpp
threadaffinity.cpp
)
+# Source files have the following private module dependencies.
+target_link_libraries(mdrunutility PRIVATE
+# gmxlib
+# math
+# mdtypes
+# tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(mdrunutility PUBLIC
+target_include_directories(mdrunutility INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(mdrunutility PUBLIC
+target_link_libraries(mdrunutility INTERFACE
+ legacy_api
+ )
+
+# TODO: when mdrunutility is an OBJECT target
+#target_link_libraries(mdrunutility PUBLIC legacy_api)
+#target_link_libraries(mdrunutility PRIVATE common)
+
+# Module dependencies
+# mdrunutility interfaces convey transitive dependence on these modules.
+#target_link_libraries(mdrunutility PUBLIC
+target_link_libraries(mdrunutility INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(mdrunutility PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(mdrunutility PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2018, by the GROMACS development team, led by
+# Copyright (c) 2018,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(mdspan INTERFACE)
+
+# Public interface for modules, including dependencies and interfaces
+target_include_directories(mdspan INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
layouts.cpp
mdspan.cpp
)
+target_link_libraries(mdspan-test PRIVATE mdspan)
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(mdtypes INTERFACE)
+
file(GLOB MDTYPES_SOURCES
checkpointdata.cpp
df_history.cpp
)
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(mdtypes PRIVATE
+ # gmxlib
+ # math
+ # mdtypes
+ # tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(mdtypes PUBLIC
+target_include_directories(mdtypes INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(mdtypes PUBLIC
+target_link_libraries(mdtypes INTERFACE
+ legacy_api
+ )
+
+# TODO: when fileio is an OBJECT target
+#target_link_libraries(mdtypes PUBLIC legacy_api)
+#target_link_libraries(mdtypes PRIVATE common)
+
+# Module dependencies
+# fileio interfaces convey transitive dependence on these modules.
+#target_link_libraries(mdtypes PUBLIC
+target_link_libraries(mdtypes INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(mdtypes PRIVATE tng_io)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(mdtypes PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2018,2019, by the GROMACS development team, led by
+# Copyright (c) 2018,2019,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
-gmx_add_libgromacs_sources(
- communicator.cpp
- utilities.cpp
+# Set up the module library
+add_library(mimic INTERFACE)
+file(GLOB MIMIC_SOURCES *.cpp)
+set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${MIMIC_SOURCES} PARENT_SCOPE)
+
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(mimic PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(mimic PUBLIC
+target_include_directories(mimic INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(mimic PUBLIC
+target_link_libraries(mimic INTERFACE
+ legacy_api
)
+# TODO: when mimic is an OBJECT target
+#target_link_libraries(mimic PUBLIC legacy_api)
+#target_link_libraries(mimic PRIVATE common)
+
+# Module dependencies
+# mimic interfaces convey transitive dependence on these modules.
+#target_link_libraries(mimic PUBLIC
+target_link_libraries(mimic INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(mimic PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(mimic PRIVATE legacy_modules)
+
file(GLOB MODULARSIMULATOR_SOURCES *.cpp)
add_library(modularsimulator OBJECT ${MODULARSIMULATOR_SOURCES})
-target_include_directories(modularsimulator SYSTEM PRIVATE ${PROJECT_SOURCE_DIR}/src/external)
-gmx_target_compile_options(modularsimulator)
-target_compile_definitions(modularsimulator PRIVATE HAVE_CONFIG_H)
-# Should be possible to remove this when resolving #3290
-target_include_directories(modularsimulator SYSTEM BEFORE PRIVATE ${PROJECT_SOURCE_DIR}/src/external/thread_mpi/include)
-target_link_libraries(modularsimulator PRIVATE legacy_api)
-# TODO: Use explicit module dependencies.
-target_link_libraries(modularsimulator PRIVATE legacy_modules)
-if(GMX_OPENMP)
+if (GMX_OPENMP)
# Explicitly set properties for modular simulator module to compile with openmp
set_target_properties(modularsimulator PROPERTIES COMPILE_OPTIONS $<TARGET_PROPERTY:OpenMP::OpenMP_CXX,INTERFACE_COMPILE_OPTIONS>)
-endif()
+endif ()
if (WIN32)
gmx_target_warning_suppression(modularsimulator /wd4244 HAS_NO_MSVC_LOSSY_CONVERSION)
gmx_target_warning_suppression(modularsimulator /wd4996 HAS_NO_MSVC_UNSAFE_FUNCTION)
-else()
+else ()
# Several std::move uses are redundant in C++14, but clang before
# 3.9 had a bug that needed them. gcc 9 can warn about their use,
# which we need to supress. This suppression should be removed
# when GROMACS requires clang 3.9 or higher.
gmx_target_warning_suppression(modularsimulator "-Wno-redundant-move" HAS_NO_REDUNDANT_MOVE)
-endif()
+endif ()
+
+target_include_directories(modularsimulator SYSTEM PRIVATE ${PROJECT_SOURCE_DIR}/src/external)
+gmx_target_compile_options(modularsimulator)
+target_compile_definitions(modularsimulator PRIVATE HAVE_CONFIG_H)
+# Should be possible to remove this when resolving #3290
+target_include_directories(modularsimulator SYSTEM BEFORE PRIVATE ${PROJECT_SOURCE_DIR}/src/external/thread_mpi/include)
+
+# Source files have the following private external dependencies.
+target_link_libraries(modularsimulator PRIVATE tng_io)
+
+# Source files have the following private infrastructure dependencies.
+target_link_libraries(modularsimulator PRIVATE common)
+
+# Source files have the following private module dependencies.
+# TODO: Explicitly link specific modules.
+target_link_libraries(modularsimulator PRIVATE legacy_modules)
+target_link_libraries(modularsimulator PRIVATE
+ gmxlib
+ math
+ mdtypes
+ tng_io
+ )
+
+# Public interface for modules, including dependencies and interfaces
+target_include_directories(modularsimulator PUBLIC
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+target_link_libraries(modularsimulator PUBLIC
+ legacy_api
+ )
+
+# Module dependencies
+# This module convey transitive dependence on these modules.
+target_link_libraries(modularsimulator PUBLIC
+ utility
+ )
list(APPEND libgromacs_object_library_dependencies modularsimulator)
set(libgromacs_object_library_dependencies ${libgromacs_object_library_dependencies} PARENT_SCOPE)
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(nbnxm INTERFACE)
+
add_subdirectory(kernels_simd_4xm)
add_subdirectory(kernels_simd_2xmm)
endif()
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${NBNXM_SOURCES} PARENT_SCOPE)
+
+
+# Source files have the following private module dependencies.
+target_link_libraries(nbnxm PRIVATE
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(nbnxm PUBLIC
+target_include_directories(nbnxm INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(nbnxm PUBLIC
+target_link_libraries(nbnxm INTERFACE
+ legacy_api
+ )
+
+# TODO: when nbnxm is an OBJECT target
+#target_link_libraries(nbnxm PUBLIC legacy_api)
+#target_link_libraries(nbnxm PRIVATE common)
+
+# Module dependencies
+# nbnxm interfaces convey transitive dependence on these modules.
+#target_link_libraries(nbnxm PUBLIC
+target_link_libraries(nbnxm INTERFACE
+ utility
+ )
\ No newline at end of file
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
+# Copyright (c) 2012,2013,2014,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(onlinehelp INTERFACE)
file(GLOB ONLINEHELP_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${ONLINEHELP_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(onlinehelp PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(onlinehelp PUBLIC
+target_include_directories(onlinehelp INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(onlinehelp PUBLIC
+target_link_libraries(onlinehelp INTERFACE
+ legacy_api
+ )
+
+# TODO: when onlinehelp is an OBJECT target
+#target_link_libraries(onlinehelp PUBLIC legacy_api)
+#target_link_libraries(onlinehelp PRIVATE common)
+
+# Module dependencies
+# onlinehelp interfaces convey transitive dependence on these modules.
+#target_link_libraries(onlinehelp PUBLIC
+target_link_libraries(onlinehelp INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(onlinehelp PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(onlinehelp PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(options INTERFACE)
+
gmx_add_libgromacs_sources(
abstractoption.cpp
abstractsection.cpp
DESTINATION include/gromacs/options)
endif()
+# Source files have the following private module dependencies.
+target_link_libraries(options PRIVATE
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(options PUBLIC
+target_include_directories(options INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(options PUBLIC
+target_link_libraries(options INTERFACE
+ legacy_api
+ )
+
+# TODO: when options is an OBJECT target
+#target_link_libraries(options PUBLIC legacy_api)
+#target_link_libraries(options PRIVATE common)
+
+# Module dependencies
+# options interfaces convey transitive dependence on these modules.
+#target_link_libraries(options PUBLIC
+target_link_libraries(options INTERFACE
+ utility
+ )
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(pbcutil INTERFACE)
file(GLOB PBCUTIL_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${PBCUTIL_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(pbcutil PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(pbcutil PUBLIC
+target_include_directories(pbcutil INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(pbcutil PUBLIC
+target_link_libraries(pbcutil INTERFACE
+ legacy_api
+ )
+
+# TODO: when pbcutil is an OBJECT target
+#target_link_libraries(pbcutil PUBLIC legacy_api)
+#target_link_libraries(pbcutil PRIVATE common)
+
+# Module dependencies
+# pbcutil interfaces convey transitive dependence on these modules.
+#target_link_libraries(pbcutil PUBLIC
+target_link_libraries(pbcutil INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(pbcutil PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(pbcutil PRIVATE legacy_modules)
+
if(GMX_INSTALL_LEGACY_API)
install(FILES
pbc.h
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2014,2015,2016, by the GROMACS development team, led by
+# Copyright (c) 2014,2015,2016,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(pulling INTERFACE)
file(GLOB PULLING_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${PULLING_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(pulling PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(pulling PUBLIC
+target_include_directories(pulling INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(pulling PUBLIC
+target_link_libraries(pulling INTERFACE
+ legacy_api
+ )
+
+# TODO: when pulling is an OBJECT target
+#target_link_libraries(pulling PUBLIC legacy_api)
+#target_link_libraries(pulling PRIVATE common)
+
+# Module dependencies
+# pulling interfaces convey transitive dependence on these modules.
+#target_link_libraries(pulling PUBLIC
+target_link_libraries(pulling INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(pulling PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(pulling PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2015,2016,2019, by the GROMACS development team, led by
+# Copyright (c) 2015,2016,2019,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(random INTERFACE)
file(GLOB RANDOM_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${RANDOM_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(random PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(random PUBLIC
+target_include_directories(random INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(random PUBLIC
+target_link_libraries(random INTERFACE
+ legacy_api
+ )
+
+# TODO: when random is an OBJECT target
+#target_link_libraries(random PUBLIC legacy_api)
+#target_link_libraries(random PRIVATE common)
+
+# Module dependencies
+# random interfaces convey transitive dependence on these modules.
+#target_link_libraries(random PUBLIC
+target_link_libraries(random INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(random PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(random PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(restraint INTERFACE)
+file(GLOB RESTRAINT_SOURCES *.cpp)
+set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${RESTRAINT_SOURCES} PARENT_SCOPE)
-gmx_add_libgromacs_sources(
- manager.cpp
- restraintmdmodule.cpp
- )
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(restraint PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(restraint PUBLIC
+target_include_directories(restraint INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(restraint PUBLIC
+target_link_libraries(restraint INTERFACE
+ legacy_api
+ )
+
+# TODO: when restraint is an OBJECT target
+#target_link_libraries(restraint PUBLIC legacy_api)
+#target_link_libraries(restraint PRIVATE common)
+
+# Module dependencies
+# restraint interfaces convey transitive dependence on these modules.
+#target_link_libraries(restraint PUBLIC
+target_link_libraries(restraint INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(restraint PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(restraint PRIVATE legacy_modules)
if (BUILD_TESTING)
add_subdirectory(tests)
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(selection INTERFACE)
+
file(GLOB SELECTION_SOURCES *.cpp)
file(GLOB SCANNER_SOURCES scanner.cpp parser.cpp)
list(REMOVE_ITEM SELECTION_SOURCES ${SCANNER_SOURCES})
list(APPEND libgromacs_object_library_dependencies scanner)
set(libgromacs_object_library_dependencies ${libgromacs_object_library_dependencies} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(selection PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(selection PUBLIC
+target_include_directories(selection INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(selection PUBLIC
+target_link_libraries(selection INTERFACE
+ legacy_api
+ )
+
+# TODO: when selection is an OBJECT target
+#target_link_libraries(selection PUBLIC legacy_api)
+#target_link_libraries(selection PRIVATE common)
+
+# Module dependencies
+# selection interfaces convey transitive dependence on these modules.
+#target_link_libraries(selection PUBLIC
+target_link_libraries(selection INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(selection PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(selection PRIVATE legacy_modules)
+
if(GMX_INSTALL_LEGACY_API)
install(FILES
indexutil.h
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(simd INTERFACE)
file(GLOB SIMD_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${SIMD_SOURCES} PARENT_SCOPE)
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(simd PUBLIC
+target_include_directories(simd INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(simd PUBLIC
+target_link_libraries(simd INTERFACE
+ legacy_api
+ )
+
+# TODO: when simd is an OBJECT target
+#target_link_libraries(simd PUBLIC legacy_api)
+#target_link_libraries(simd PRIVATE common)
+
+# Module dependencies
+# simd interfaces convey transitive dependence on these modules.
+#target_link_libraries(simd PUBLIC
+target_link_libraries(simd INTERFACE
+ utility
+ )
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2014,2015, by the GROMACS development team, led by
+# Copyright (c) 2014,2015,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(statistics INTERFACE)
file(GLOB STATISTICS_SOURCES *.cpp)
-
set(LIBGROMACS_SOURCES
${LIBGROMACS_SOURCES} ${STATISTICS_SOURCES} PARENT_SCOPE)
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(statistics PUBLIC
+target_include_directories(statistics INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(statistics PUBLIC
+target_link_libraries(statistics INTERFACE
+ legacy_api
+ )
+
+# TODO: when statistics is an OBJECT target
+#target_link_libraries(statistics PUBLIC legacy_api)
+#target_link_libraries(statistics PRIVATE common)
+
+# Module dependencies
+# statistics interfaces convey transitive dependence on these modules.
+#target_link_libraries(statistics PUBLIC
+target_link_libraries(statistics INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(statistics PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(statistics PRIVATE legacy_modules)
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
+# Copyright (c) 2013,2014,2015,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(swap INTERFACE)
file(GLOB SWAP_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${SWAP_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(swap PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(swap PUBLIC
+target_include_directories(swap INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(swap PUBLIC
+target_link_libraries(swap INTERFACE
+ legacy_api
+ )
+
+# TODO: when swap is an OBJECT target
+#target_link_libraries(swap PUBLIC legacy_api)
+#target_link_libraries(swap PRIVATE common)
+
+# Module dependencies
+# swap interfaces convey transitive dependence on these modules.
+#target_link_libraries(swap PUBLIC
+target_link_libraries(swap INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(swap PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(swap PRIVATE legacy_modules)
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2015,2016, by the GROMACS development team, led by
+# Copyright (c) 2015,2016,200, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(tables INTERFACE)
file(GLOB TABLE_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${TABLE_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(tables PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(tables PUBLIC
+target_include_directories(tables INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(tables PUBLIC
+target_link_libraries(tables INTERFACE
+ legacy_api
+ )
+
+# TODO: when tables is an OBJECT target
+#target_link_libraries(tables PUBLIC legacy_api)
+#target_link_libraries(tables PRIVATE common)
+
+# Module dependencies
+# tables interfaces convey transitive dependence on these modules.
+#target_link_libraries(tables PUBLIC
+target_link_libraries(tables INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(tables PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(tables PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(taskassignment INTERFACE)
+file(GLOB TASKASSIGNMENT_SOURCES *.cpp)
+set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${TASKASSIGNMENT_SOURCES} PARENT_SCOPE)
+
# Note that this is a higher-level module that should not need
# special compilation to suit e.g. GPU or MPI dependencies.
# If you find you want to do that, consider a preliminary
# refactoring.
-gmx_add_libgromacs_sources(
- decidegpuusage.cpp
- decidesimulationworkload.cpp
- findallgputasks.cpp
- reportgpuusage.cpp
- resourcedivision.cpp
- taskassignment.cpp
- usergpuids.cpp
- )
+
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(taskassignment PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(taskassignment PUBLIC
+target_include_directories(taskassignment INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(taskassignment PUBLIC
+target_link_libraries(taskassignment INTERFACE
+ legacy_api
+ )
+
+# TODO: when taskassignment is an OBJECT target
+#target_link_libraries(taskassignment PUBLIC legacy_api)
+#target_link_libraries(taskassignment PRIVATE common)
+
+# Module dependencies
+# taskassignment interfaces convey transitive dependence on these modules.
+#target_link_libraries(taskassignment PUBLIC
+target_link_libraries(taskassignment INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(taskassignment PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(taskassignment PRIVATE legacy_modules)
if (BUILD_TESTING)
add_subdirectory(tests)
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2013,2014,2015,2019, by the GROMACS development team, led by
+# Copyright (c) 2013,2014,2015,2019,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(timing INTERFACE)
file(GLOB TIMING_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${TIMING_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(timing PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(timing PUBLIC
+target_include_directories(timing INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(timing PUBLIC
+target_link_libraries(timing INTERFACE
+ legacy_api
+ )
+
+# TODO: when timing is an OBJECT target
+#target_link_libraries(timing PUBLIC legacy_api)
+#target_link_libraries(timing PRIVATE common)
+
+# Module dependencies
+# timing interfaces convey transitive dependence on these modules.
+#target_link_libraries(timing PUBLIC
+target_link_libraries(timing INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(timing PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(timing PRIVATE legacy_modules)
+
if (BUILD_TESTING)
# add_subdirectory(tests)
endif()
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2014,2015,2018, by the GROMACS development team, led by
+# Copyright (c) 2014,2015,2018,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(tools INTERFACE)
file(GLOB TOOLS_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${TOOLS_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(tools PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(tools PUBLIC
+target_include_directories(tools INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(tools PUBLIC
+target_link_libraries(tools INTERFACE
+ legacy_api
+ )
+
+# TODO: when tools is an OBJECT target
+#target_link_libraries(tools PUBLIC legacy_api)
+#target_link_libraries(tools PRIVATE common)
+
+# Module dependencies
+# tools interfaces convey transitive dependence on these modules.
+#target_link_libraries(tools PUBLIC
+target_link_libraries(tools INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(tools PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(tools PRIVATE legacy_modules)
+
+
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(topology INTERFACE)
+
file(GLOB TOPOLOGY_SOURCES *.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${TOPOLOGY_SOURCES} PARENT_SCOPE)
-if (BUILD_TESTING)
- add_subdirectory(tests)
-endif()
-
if(GMX_INSTALL_LEGACY_API)
install(FILES
atomprop.h
- atoms.h
- block.h
- forcefieldparameters.h
- idef.h
- ifunc.h
+ atoms.h
+ block.h
+ forcefieldparameters.h
+ idef.h
+ ifunc.h
index.h
- symtab.h
- topology.h
- DESTINATION include/gromacs/topology)
+ symtab.h
+ topology.h
+ DESTINATION include/gromacs/topology)
endif()
+
+# Source files have the following private module dependencies.
+target_link_libraries(options PRIVATE
+ )
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(topology PUBLIC
+target_include_directories(topology INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(topology PUBLIC
+target_link_libraries(topology INTERFACE
+ legacy_api
+ )
+
+# TODO: when topology is an OBJECT target
+#target_link_libraries(topology PUBLIC legacy_api)
+#target_link_libraries(topology PRIVATE common)
+
+# Module dependencies
+# topology interfaces convey transitive dependence on these modules.
+#target_link_libraries(topology PUBLIC
+target_link_libraries(topology INTERFACE
+ utility
+ )
+
+if (BUILD_TESTING)
+ add_subdirectory(tests)
+endif()
\ No newline at end of file
#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2015,2016,2018,2019, by the GROMACS development team, led by
+# Copyright (c) 2015,2016,2018,2019,2020, 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.
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
-gmx_add_libgromacs_sources(
- energyframe.cpp
- trajectoryframe.cpp
- )
+# Set up the module library
+add_library(trajectory INTERFACE)
+file(GLOB TRAJECTORY_SOURCES *.cpp)
+set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${TRAJECTORY_SOURCES} PARENT_SCOPE)
+
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(trajectory PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(trajectory PUBLIC
+target_include_directories(trajectory INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(trajectory PUBLIC
+target_link_libraries(trajectory INTERFACE
+ legacy_api
+ )
+
+# TODO: when trajectory is an OBJECT target
+#target_link_libraries(trajectory PUBLIC legacy_api)
+#target_link_libraries(trajectory PRIVATE common)
+
+# Module dependencies
+# trajectory interfaces convey transitive dependence on these modules.
+#target_link_libraries(trajectory PUBLIC
+target_link_libraries(trajectory INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(trajectory PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(trajectory PRIVATE legacy_modules)
if(GMX_INSTALL_LEGACY_API)
install(FILES trajectoryframe.h
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+# Set up the module library
+add_library(trajectoryanalysis INTERFACE)
file(GLOB TRAJECTORYANALYSIS_SOURCES *.cpp modules/*.cpp)
set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${TRAJECTORYANALYSIS_SOURCES} PARENT_SCOPE)
+# Source files have the following dependencies on library infrastructure.
+#target_link_libraries(trajectoryanalysis PRIVATE
+# common
+# legacy_modules
+#)
+
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(trajectoryanalysis PUBLIC
+target_include_directories(trajectoryanalysis INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(trajectoryanalysis PUBLIC
+target_link_libraries(trajectoryanalysis INTERFACE
+ legacy_api
+ )
+
+# TODO: when trajectoryanalysis is an OBJECT target
+#target_link_libraries(trajectoryanalysis PUBLIC legacy_api)
+#target_link_libraries(trajectoryanalysis PRIVATE common)
+
+# Module dependencies
+# trajectoryanalysis interfaces convey transitive dependence on these modules.
+#target_link_libraries(trajectoryanalysis PUBLIC
+target_link_libraries(trajectoryanalysis INTERFACE
+ utility
+ )
+# Source files have the following private module dependencies.
+#target_link_libraries(trajectoryanalysis PRIVATE NOTHING)
+# TODO: Explicitly link specific modules.
+#target_link_libraries(trajectoryanalysis PRIVATE legacy_modules)
+
if(GMX_INSTALL_LEGACY_API)
install(FILES
analysismodule.h
# To help us fund GROMACS development, we humbly ask that you cite
# the research papers on the package. Check out http://www.gromacs.org.
+add_library(utility INTERFACE)
+
file(GLOB UTILITY_SOURCES *.cpp)
if (GMX_GPU_CUDA)
gmx_add_libgromacs_sources(cuda_version_information.cu)
DESTINATION include/gromacs/utility)
endif()
+# Public interface for modules, including dependencies and interfaces
+#target_include_directories(utility PUBLIC
+target_include_directories(utility INTERFACE
+ $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>)
+#target_link_libraries(utility PUBLIC
+target_link_libraries(utility INTERFACE
+ legacy_api
+ )
+
+# TODO: when utility is an OBJECT target
+#target_link_libraries(utility PUBLIC legacy_api)
+#target_link_libraries(utility PRIVATE common)
+
+# Source files have the following private module dependencies.
+# TODO: Explicitly link specific modules.
+#target_link_libraries(utility PRIVATE legacy_modules)
+
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff