johahu / molsim

The Molecular Dynamics teaching code.

MolSim2024 - Group D

Team members

• Johannes Hupe
• Julius Kramer
• Tim Scholl

Prerequisites

Developed and tested with these versions, other versions might work

• clang 18.1.6
• lld 18.1.6
• lldb 18.1.6
• cmake 3.27.7

this repository includes .idea/cmake.xml. This is a shareable IDE config file that allows all team members to use the same config. The way Clion implements it, still allows to use your own config. The only necessary prerequisite is that there is one Toolchain named "System" in your CLion config otherwise you might get error messages.

/usr/bin/cmake  -DCMAKE_BUILD_TYPE=Release \
                -DCMAKE_CXX_COMPILER=/usr/bin/clang++ \
                -G 'Unix Makefiles' \
                -S $(pwd) \
                -B $(pwd)/build

Building documentation

cd ${BUILD_DIR}
make doc_doxygen

Build and run

cd ${BUILD_DIR}
make
./MolSim --help
SPDLOG_LEVEL=info ./MolSim --input <input_xml_file>

llvm-profdata merge -output=default.profdata default_*.profraw

Tests

cd test
./Test

Clean

cd ${BUILD_DIR}
make clean

Static analysis

clang-tidy $files...$ -checks="cppcoreguidelines-*,modernize-*,performance-*,readability-*"  -p ./${BUILD_DIR}/compile_commands.json