diff --git a/unittest/python/CMakeLists.txt b/unittest/python/CMakeLists.txt index 490314ca9d..0c3b0e9418 100644 --- a/unittest/python/CMakeLists.txt +++ b/unittest/python/CMakeLists.txt @@ -1,3 +1,13 @@ +# Test calling Python from LAMMPS (and importing the LAMMPS module +# inside those functions). This can do an "anonymous" import of symbols +# from the executable, so the shared library is not needed. The +# availability of the PYTHON package is tested for inside the tester. + +add_executable(test_python_package test_python_package.cpp) +target_link_libraries(test_python_package PRIVATE lammps GTest::GMock GTest::GTest) +add_test(NAME PythonPackage COMMAND test_python_package WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +set_tests_properties(PythonPackage PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR};PYTHONPATH=${CMAKE_CURRENT_BINARY_DIR}:${LAMMPS_PYTHON_DIR}:$ENV{PYTHONPATH}") + # we must have shared libraries enabled for testing the python module if(NOT BUILD_SHARED_LIBS) message(STATUS "Skipping Tests for the LAMMPS Python Module: must enable BUILD_SHARED_LIBS") diff --git a/unittest/python/test_python_package.cpp b/unittest/python/test_python_package.cpp new file mode 100644 index 0000000000..dfbb8086c5 --- /dev/null +++ b/unittest/python/test_python_package.cpp @@ -0,0 +1,91 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#include "atom.h" +#include "input.h" +#include "gmock/gmock.h" +#include "gtest/gtest.h" + +#include +#include +#include + +// whether to print verbose output (i.e. not capturing LAMMPS screen output). +bool verbose = false; + +using LAMMPS_NS::utils::split_words; + +namespace LAMMPS_NS { +using ::testing::Eq; + + +class PythonPackageTest : public ::testing::Test { +protected: + LAMMPS *lmp; + + void SetUp() override + { + const char *args[] = {"PythonPackageTest", "-log", "none", "-echo", "screen", "-nocite"}; + char **argv = (char **)args; + int argc = sizeof(args) / sizeof(char *); + if (!verbose) ::testing::internal::CaptureStdout(); + lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_NE(lmp, nullptr); + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("units real"); + lmp->input->one("dimension 3"); + lmp->input->one("region box block -4 4 -4 4 -4 4"); + lmp->input->one("create_box 1 box"); + lmp->input->one("create_atoms 1 single 0.0 0.0 0.0 units box"); + lmp->input->one("create_atoms 1 single 1.9 -1.9 1.9999 units box"); + lmp->input->one("pair_style zero 2.0"); + lmp->input->one("pair_coeff * *"); + lmp->input->one("mass * 1.0"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + } + + void TearDown() override + { + if (!verbose) ::testing::internal::CaptureStdout(); + delete lmp; + if (!verbose) ::testing::internal::GetCapturedStdout(); + } +}; + +TEST_F(PythonPackageTest, python_invoke) +{ +} + +} // namespace LAMMPS_NS + +int main(int argc, char **argv) +{ + MPI_Init(&argc, &argv); + ::testing::InitGoogleMock(&argc, argv); + + // handle arguments passed via environment variable + if (const char *var = getenv("TEST_ARGS")) { + std::vector env = split_words(var); + for (auto arg : env) { + if (arg == "-v") { + verbose = true; + } + } + } + if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true; + + int rv = RUN_ALL_TESTS(); + MPI_Finalize(); + return rv; +}