diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 8fed2fbe68..090185aac8 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -140,18 +140,17 @@ option(CMAKE_VERBOSE_MAKEFILE "Generate verbose Makefiles" OFF) set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR KSPACE LATTE MANYBODY MC MESSAGE MISC MLIAP MOLECULE PERI POEMS - PLUGIN REPLICA RIGID SHOCK SPIN SNAP SRD KIM PYTHON MSCG MPIIO VORONOI + PLUGIN QEQ REPLICA RIGID SHOCK SPIN SNAP SRD KIM PYTHON MSCG MPIIO VORONOI USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-MESODPD USER-CGSDK USER-COLVARS USER-DIELECTRIC USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-HDNNP USER-LB USER-MANIFOLD USER-MDI USER-MEAMC USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB - USER-RANN USER-REACTION USER-REAXC USER-SCAFACOS USER-SMD USER-SMTBQ USER-SPH + USER-RANN USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM USER-YAFF USER-PACE USER-BROWNIAN) set(SUFFIX_PACKAGES CORESHELL GPU KOKKOS OPT USER-INTEL USER-OMP) -set(DEPEND_PACKAGES QEQ USER-SDPD) -foreach(PKG ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES} ${DEPEND_PACKAGES}) +foreach(PKG ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES}) option(PKG_${PKG} "Build ${PKG} Package" OFF) endforeach() @@ -350,9 +349,8 @@ else() set(CUDA_REQUEST_PIC) endif() -foreach(PKG_WITH_INCL KSPACE PYTHON MLIAP VORONOI USER-COLVARS USER-HDNNP - USER-MDI USER-MOLFILE USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP - USER-SCAFACOS USER-SMD USER-VTK KIM LATTE MESSAGE MSCG COMPRESS USER-PACE) +foreach(PKG_WITH_INCL KSPACE PYTHON MLIAP VORONOI USER-COLVARS USER-DIELECTRIC USER-HDNNP USER-MDI USER-MOLFILE USER-NETCDF + USER-PLUMED USER-QMMM USER-QUIP USER-SCAFACOS USER-SMD USER-VTK KIM LATTE MESSAGE MSCG COMPRESS USER-PACE) if(PKG_${PKG_WITH_INCL}) include(Packages/${PKG_WITH_INCL}) endif() @@ -393,7 +391,7 @@ RegisterStyles(${LAMMPS_SOURCE_DIR}) ######################################################## # Fetch missing external files and archives for packages ######################################################## -foreach(PKG ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES} ${DEPEND_PACKAGES}) +foreach(PKG ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES}) if(PKG_${PKG}) FetchPotentials(${LAMMPS_SOURCE_DIR}/${PKG} ${LAMMPS_POTENTIALS_DIR}) endif() @@ -429,15 +427,6 @@ foreach(PKG MPIIO) endif() endforeach() -# packages with custom dependencies -foreach(PKG ${DEPEND_PACKAGES}) - if(PKG_${PKG}) - include(Packages/${PKG}) - endif() - set(${PKG}_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/${PKG}) - RegisterPackages(${${PKG}_SOURCES_DIR}) -endforeach() - # dedicated check for entire contents of accelerator packages foreach(PKG ${SUFFIX_PACKAGES}) set(${PKG}_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/${PKG}) @@ -506,9 +495,9 @@ endif() # packages which selectively include variants based on enabled styles # e.g. accelerator packages ###################################################################### -foreach(PKG_WITH_DEPS ${DEPEND_PACKAGES} ${SUFFIX_PACKAGES}) - if(PKG_${PKG_WITH_DEPS}) - include(Packages/${PKG_WITH_DEPS}) +foreach(PKG_WITH_INCL CORESHELL QEQ USER-OMP USER-SDPD KOKKOS OPT USER-INTEL GPU) + if(PKG_${PKG_WITH_INCL}) + include(Packages/${PKG_WITH_INCL}) endif() endforeach() @@ -550,7 +539,7 @@ target_include_directories(lammps PRIVATE ${LAMMPS_STYLE_HEADERS_DIR}) ###################################### set(temp "#ifndef LMP_INSTALLED_PKGS_H\n#define LMP_INSTALLED_PKGS_H\n") set(temp "${temp}const char * LAMMPS_NS::LAMMPS::installed_packages[] = {\n") -set(temp_PKG_LIST ${STANDARD_PACKAGES} ${DEPEND_PACKAGES} ${SUFFIX_PACKAGES}) +set(temp_PKG_LIST ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES}) list(SORT temp_PKG_LIST) foreach(PKG ${temp_PKG_LIST}) if(PKG_${PKG}) diff --git a/cmake/Modules/Packages/QEQ.cmake b/cmake/Modules/Packages/QEQ.cmake index 1bdaa02f43..041d34cf9d 100644 --- a/cmake/Modules/Packages/QEQ.cmake +++ b/cmake/Modules/Packages/QEQ.cmake @@ -1,18 +1,13 @@ # Fix qeq/fire requires MANYBODY (i.e. COMB and COMB3) to be installed set(QEQ_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/QEQ) -file(GLOB QEQ_HEADERS ${QEQ_SOURCES_DIR}/fix*.h) -file(GLOB QEQ_SOURCES ${QEQ_SOURCES_DIR}/fix*.cpp) +get_property(hlist GLOBAL PROPERTY FIX) if(NOT PKG_MANYBODY) - list(REMOVE_ITEM QEQ_HEADERS ${QEQ_SOURCES_DIR}/fix_qeq_fire.h) - list(REMOVE_ITEM QEQ_SOURCES ${QEQ_SOURCES_DIR}/fix_qeq_fire.cpp) + list(REMOVE_ITEM hlist ${QEQ_SOURCES_DIR}/fix_qeq_fire.h) + get_target_property(LAMMPS_SOURCES lammps SOURCES) + list(REMOVE_ITEM LAMMPS_SOURCES ${QEQ_SOURCES_DIR}/fix_qeq_fire.cpp) + set_property(TARGET lammps PROPERTY SOURCES ${LAMMPS_SOURCES}) endif() -set_property(GLOBAL PROPERTY "QEQ_SOURCES" "${QEQ_SOURCES}") +set_property(GLOBAL PROPERTY FIX "${hlist}") -foreach(MY_HEADER ${QEQ_HEADERS}) - AddStyleHeader(${MY_HEADER} FIX) -endforeach() - -get_property(QEQ_SOURCES GLOBAL PROPERTY QEQ_SOURCES) -target_sources(lammps PRIVATE ${QEQ_SOURCES}) target_include_directories(lammps PRIVATE ${QEQ_SOURCES_DIR}) diff --git a/unittest/c-library/CMakeLists.txt b/unittest/c-library/CMakeLists.txt index c4d2ad7466..3c24cdcff4 100644 --- a/unittest/c-library/CMakeLists.txt +++ b/unittest/c-library/CMakeLists.txt @@ -15,7 +15,7 @@ set_tests_properties(LibraryProperties PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS set(TEST_CONFIG_DEFS "-DTEST_INPUT_FOLDER=${CMAKE_CURRENT_SOURCE_DIR};-DLAMMPS_${LAMMPS_SIZES}") set(PKG_COUNT 0) -foreach(PKG ${STANDARD_PACKAGES} ${DEPEND_PACKAGES} ${SUFFIX_PACKAGES}) +foreach(PKG ${STANDARD_PACKAGES} ${SUFFIX_PACKAGES}) if(PKG_${PKG}) MATH(EXPR PKG_COUNT "${PKG_COUNT}+1") endif()