compiling on MAC

[Christian Tantardini]

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.

[Christoph Junghans]

I think you forgot the "--recursive" option when cloning.

Christoph

Best Regards,

Christian.

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[Christian Tantardini]

I have downloaded the zip version and unzipped without git clone.

Now that I have tried this is the message. 

git clone -b ${'1.6'} --recursive https://github.com/votca/votca.git

zsh: bad substitution

воскресенье, 17 мая 2020 г., 15:41:03 UTC+3 пользователь Christoph Junghans написал:

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[Christian Tantardini]

I have done git without -b ${'1.6'}
and it works but after that the same problem that it cannot see MKL and LLVM.

воскресенье, 17 мая 2020 г., 18:59:05 UTC+3 пользователь Christian Tantardini написал:

[Christoph Junghans]

On Sun, May 17, 2020 at 10:04 AM Christian Tantardini
<ch.tan...@gmail.com> wrote:
>
> I have done git without -b ${'1.6'}
> and it works but after that the same problem that it cannot see MKL and LLVM.
>
> воскресенье, 17 мая 2020 г., 18:59:05 UTC+3 пользователь Christian Tantardini написал:
>>
>> I have downloaded the zip version and unzipped without git clone.
>> Now that I have tried this is the message.
>>
>> git clone -b ${'1.6'} --recursive https://github.com/votca/votca.git
>>
>> zsh: bad substitution

There is a syntax error here, try:
git clone -b v1.6 --recursive https://github.com/votca/votca.git

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--
Christoph Junghans
Web: http://www.compphys.de

[Christian Tantardini]

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: