ICODE-ADC/lammps
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Merge branch 'master' into tersoff-shift

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This commit is contained in:
Axel Kohlmeyer
2021-01-11 04:30:11 -05:00
parent 412d1c1b72 102a6eba79
commit cbca189490
509 changed files with 7657 additions and 7183 deletions
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2
unittest/c-library/CMakeLists.txt
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@ -56,7 +56,7 @@ target_link_libraries(test_library_config PRIVATE lammps GTest::GTest GTest::GMo
target_compile_definitions(test_library_config PRIVATE ${TEST_CONFIG_DEFS})
add_test(LibraryConfig test_library_config)
if (BUILD_MPI)
if(BUILD_MPI)
add_executable(test_library_mpi test_library_mpi.cpp)
target_link_libraries(test_library_mpi PRIVATE lammps GTest::GTest GTest::GMock)
target_compile_definitions(test_library_mpi PRIVATE ${TEST_CONFIG_DEFS})

6
unittest/formats/CMakeLists.txt
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@ -17,7 +17,7 @@ target_link_libraries(test_potential_file_reader PRIVATE lammps GTest::GMock GTe
add_test(NAME PotentialFileReader COMMAND test_potential_file_reader WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(PotentialFileReader PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")
if (PKG_MANYBODY)
if(PKG_MANYBODY)
add_executable(test_eim_potential_file_reader test_eim_potential_file_reader.cpp)
target_link_libraries(test_eim_potential_file_reader PRIVATE lammps GTest::GMock GTest::GTest)
add_test(NAME EIMPotentialFileReader COMMAND test_eim_potential_file_reader WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
@ -33,7 +33,7 @@ target_link_libraries(test_dump_atom PRIVATE lammps GTest::GMock GTest::GTest)
add_test(NAME DumpAtom COMMAND test_dump_atom WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(DumpAtom PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")
if (PKG_COMPRESS)
if(PKG_COMPRESS)
find_program(GZIP_BINARY NAMES gzip REQUIRED)
add_executable(test_dump_atom_gz test_dump_atom_gz.cpp)
@ -113,7 +113,7 @@ target_link_libraries(test_dump_cfg PRIVATE lammps GTest::GMock GTest::GTest)
add_test(NAME DumpCfg COMMAND test_dump_cfg WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR})
set_tests_properties(DumpCfg PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}")
if (BUILD_TOOLS)
if(BUILD_TOOLS)
set_tests_properties(DumpAtom PROPERTIES ENVIRONMENT "BINARY2TXT_BINARY=$<TARGET_FILE:binary2txt>")
set_tests_properties(DumpCustom PROPERTIES ENVIRONMENT "BINARY2TXT_BINARY=$<TARGET_FILE:binary2txt>")
endif()

2
unittest/python/CMakeLists.txt
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@ -25,7 +25,7 @@ else()
find_package(Python3 COMPONENTS Interpreter)
endif()
if (Python_EXECUTABLE)
if(Python_EXECUTABLE)
# prepare to augment the environment so that the LAMMPS python module and the shared library is found.
set(PYTHON_TEST_ENVIRONMENT PYTHONPATH=${LAMMPS_PYTHON_DIR}:$ENV{PYTHONPATH})
if(APPLE)