It worked as you suggested, but now it asks for GROMACS that I do not have. If I write it -DBUILD_CSGAPPS=OFF than I can use xtp?
cmake -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -S"/Users/christian.tantardini/softs/votca/" -B"/Users/christian.tantardini/softs/votca/build_dir/" -- Could NOT find MKL (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY) -- Found Eigen3: /usr/local/share/eigen3/cmake -- Could NOT find TXT2TAGS (missing: TXT2TAGS_EXECUTABLE) txt2tags not found, help cmake to find it by setting TXT2TAGS_EXECUTABLE -- Found Eigen3: /usr/local/share/eigen3/cmake -- Found VOTCA_TOOLS: -- Checking for module 'libgromacs_d' -- No package 'libgromacs_d' found -- Checking for module 'libgromacs' -- Found libgromacs, version 2020.2 -- Looking for c++ gmx_version in /usr/local/Cellar/gromacs/2020.2/lib/libgromacs.dylib -- Looking for c++ gmx_version in /usr/local/Cellar/gromacs/2020.2/lib/libgromacs.dylib - found -- Looking for c++ gmx_is_single_precision in /usr/local/Cellar/gromacs/2020.2/lib/libgromacs.dylib -- Looking for c++ gmx_is_single_precision in /usr/local/Cellar/gromacs/2020.2/lib/libgromacs.dylib - found -- Looking for c++ gmx_is_double_precision in /usr/local/Cellar/gromacs/2020.2/lib/libgromacs.dylib -- Looking for c++ gmx_is_double_precision in /usr/local/Cellar/gromacs/2020.2/lib/libgromacs.dylib - not found CMake Error at /usr/local/Cellar/cmake/3.17.2/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:164 (message): Could NOT find GROMACS: Found unsuitable version "0", but required is at least "2016" (found /usr/local/Cellar/gromacs/2020.2/lib/libgromacs.dylib) Call Stack (most recent call first): /usr/local/Cellar/cmake/3.17.2/share/cmake/Modules/FindPackageHandleStandardArgs.cmake:443 (_FPHSA_FAILURE_MESSAGE) csg/CMakeModules/FindGROMACS.cmake:84 (find_package_handle_standard_args) CMakeLists.txt:91 (_find_package) csg/CMakeLists.txt:78 (find_package) -- Configuring incomplete, errors occurred! воскресенье, 17 мая 2020 г., 15:37:24 UTC+3 пользователь Christian Tantardini написал: > > Dear All, > > I would like to compile on my MAC but unfortunately without results. > This the command: > > cmake -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON > -S"/Users/christian.tantardini/softs/votca-master/" > -B"/Users/christian.tantardini/softs/votca-master/build_dir/" > -DLLVM_INCLUDE_DIR="/usr/local/Cellar/llvm/10.0.0_3/include/" > -DLLVM_LIB="/usr/local/Cellar/llvm/10.0.0_3/lib" > -DMKL_INCLUDE_DIR="/usr/local/Cellar/mkl-dnn/1.4/include/" > -DMKL_LIB="/usr/local/Cellar/mkl-dnn/1.4/lib/" > > > This the answer: > > CMake Warning at CMakeLists.txt:102 (_find_package): > > By not providing "FindMKL.cmake" in CMAKE_MODULE_PATH this project has > > asked CMake to find a package configuration file provided by "MKL", but > > CMake did not find one. > > > Could not find a package configuration file provided by "MKL" with any of > > the following names: > > > MKLConfig.cmake > > mkl-config.cmake > > > Add the installation prefix of "MKL" to CMAKE_PREFIX_PATH or set > "MKL_DIR" > > to a directory containing one of the above files. If "MKL" provides a > > separate development package or SDK, be sure it has been installed. > > Call Stack (most recent call first): > > CMakeLists.txt:112 (find_package) > > > > CMake Error at CMakeLists.txt:122 (add_subdirectory): > > The source directory > > > /Users/christian.tantardini/softs/votca-master/tools > > > does not contain a CMakeLists.txt file. > > > > CMake Error at CMakeLists.txt:124 (add_subdirectory): > > The source directory > > > /Users/christian.tantardini/softs/votca-master/csg > > > does not contain a CMakeLists.txt file. > > > > CMake Error at CMakeLists.txt:126 (add_subdirectory): > > The source directory > > > /Users/christian.tantardini/softs/votca-master/csg-tutorials > > > does not contain a CMakeLists.txt file. > > > > CMake Error at CMakeLists.txt:132 (add_subdirectory): > > The source directory > > > /Users/christian.tantardini/softs/votca-master/csgapps > > > does not contain a CMakeLists.txt file. > > > > CMake Error at CMakeLists.txt:136 (add_subdirectory): > > The source directory > > > /Users/christian.tantardini/softs/votca-master/xtp > > > does not contain a CMakeLists.txt file. > > > > CMake Error at CMakeLists.txt:138 (add_subdirectory): > > The source directory > > > /Users/christian.tantardini/softs/votca-master/xtp-tutorials > > > does not contain a CMakeLists.txt file. > > > > -- Could NOT find SPHINX (missing: SPHINX_EXECUTABLE) > > -- The following features have been enabled: > > > * BUILD_CSGAPPS, Build extra app using csg > > * BUILD_XTP, Build xtp module > > > -- The following OPTIONAL packages have been found: > > > * Doxygen > > Needed to build API documentation > > > -- The following features have been disabled: > > > * BUILD_CSG_MANUAL, Build csg-manual > > * ENABLE_TESTING, Enable unit tests > > * ENABLE_RPATH_INJECT, Inject rpath into executables > > * BUILD_OWN_GROMACS, Build an internal version of gromacs > > > -- The following OPTIONAL packages have not been found: > > > * MKL > > Enables accelerated performance with MKL > > * LLVM > > Needed for automatic code formatting with clang-format > > > -- Configuring incomplete, errors occurred! > > See also > "/Users/christian.tantardini/softs/votca-master/build_dir/CMakeFiles/CMakeOutput.log". > > > Could you please help me? > > > Best Regards, > > Christian. > -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. 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