diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index d8ee6b4..d0a9d96 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -59,4 +59,4 @@ jobs: - name: Verify installation run: | - ./build/install/bin/chromatogram --version + ./build/install/bin/cadet-cli --version diff --git a/README.md b/README.md index 2731675..34bec2c 100644 --- a/README.md +++ b/README.md @@ -69,6 +69,6 @@ Suppose your model is contained in the HDF5 file `model.h5`, then you can do the * Compute the chromatogram via ``` - chromatogram.exe model.h5 -o chromatogram.csv -e 1e-100 -p 250 -P 20 -t 4 + cadet-cli.exe model.h5 -o chromatogram.csv -e 1e-100 -p 250 -P 20 -t 4 ``` where no extrapolation method is used and, hence, the convergence detection tolerances are set to 0. This command also requests the usage of 250 decimal digits precision arithmetics (but only 20 digits of them are written to file), parallelization using 4 threads, and the total error to be less than 10^(-100). Extrapolation is enabled by adding `-x MET` to the command line, where `MET` is one of `ide`, `ads`, `wem`, `wrm`, `iad`, `lum`, `ltm`, `ibt`, `btm`, `nam`, `rem`, or `sgr`. The results are written to the file `chromatogram.csv`. diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index e4f6b00..9e437c6 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -130,9 +130,9 @@ target_include_directories(casema_io PUBLIC -add_executable(chromatogram $ $ ProgressBar.cpp chromatogram.cpp) -target_link_libraries(chromatogram PUBLIC CASEMA::CompileOptions PRIVATE GMP::GMP MPFR::MPFR MPC::MPC Eigen3::Eigen) -target_include_directories(chromatogram PUBLIC +add_executable(cadet-cli $ $ ProgressBar.cpp cadet-cli.cpp) +target_link_libraries(cadet-cli PUBLIC CASEMA::CompileOptions PRIVATE GMP::GMP MPFR::MPFR MPC::MPC Eigen3::Eigen) +target_include_directories(cadet-cli PUBLIC "${CMAKE_BINARY_DIR}" "${CMAKE_CURRENT_BINARY_DIR}" "${CMAKE_CURRENT_SOURCE_DIR}" @@ -144,19 +144,19 @@ target_include_directories(chromatogram PUBLIC if (OpenMP_FOUND) target_link_libraries(casema_common PUBLIC OpenMP::OpenMP_CXX) - target_link_libraries(chromatogram PUBLIC OpenMP::OpenMP_CXX) + target_link_libraries(cadet-cli PUBLIC OpenMP::OpenMP_CXX) endif() if (HDF5_FOUND) target_link_libraries(casema_io PUBLIC HDF5::HDF5) - target_link_libraries(chromatogram PUBLIC HDF5::HDF5) + target_link_libraries(cadet-cli PUBLIC HDF5::HDF5) endif() # --------------------------------------------------- # Set installation related stuff # --------------------------------------------------- -install(CODE "MESSAGE(\"\nInstall CHROMATOGRAM\n\")") -install(TARGETS chromatogram RUNTIME) +install(CODE "MESSAGE(\"\nInstall cadet-cli\n\")") +install(TARGETS cadet-cli RUNTIME) ## Info message -message(STATUS "Added CHROMATOGRAM module") +message(STATUS "Added cadet-cli module") diff --git a/src/chromatogram.cpp b/src/cadet-cli.cpp similarity index 100% rename from src/chromatogram.cpp rename to src/cadet-cli.cpp