On Mon, Aug 15, 2022, 07:35 Anirban Mondal <[email protected]>
wrote:
> Dear Christoph,
>
> Many thanks for the response. I could somehow bypass the cmath error.
> Unfortunately, I am getting stuck at the very next step of the compilation.
> I am using the following options to compile the code.
>
> prefix=/home/amondal/Programs/votca
> version=master
> git clone -b ${version} https://gitlab.mpcdf.mpg.de/votca/votca.git
> cmake -B builddir -S votca -DCMAKE_INSTALL_PREFIX=${prefix}
> -DEIGEN3_INCLUDE_DIR=/home/amondal/Programs/eigen3 -DBUILD_XTP=OFF
> -DFFTW3_INCLUDE_DIR=/home/amondal/Programs/fftw-3.3.10/include
> -DFFTW3_LIBRARY=/home/amondal/Programs/fftw-3.3.10/lib/libfftw3.so
> -DEXPAT_INCLUDE_DIR=/home/amondal/Programs/expat-2.2.7/include
> -DEXPAT_LIBRARY=/home/amondal/Programs/expat-2.2.7/lib
> -DSQLITE3_INCLUDE_DIR=/home/amondal/Programs/sqlite/include
> -DSQLITE3_LIBRARY=/home/amondal/Programs/sqlite/lib
> -DGROMACS_INCLUDE_DIR=/home/amondal/Programs/gromacs/include
> -DGROMACS_LIBRARY=/home/amondal/Programs/gromacs/lib64/libgromacs.so
>
> The error I am getting is the following:
>
> -- Checking for module 'libgromacs_d'
> -- No package 'libgromacs_d' found
> -- Checking for module 'libgromacs'
> -- No package 'libgromacs' found
> CMake Error at csg/CMakeModules/FindGROMACS.cmake:52 (message):
> Could not find a suitable gromacs library. gmx_version is not defined in
> the gromacs library, that is very very strange, take a look at the error
> message in /home/amondal/Programs/builddir/CMakeFiles/CMakeError.log to
> find out what was going wrong. This most likely means that your gromacs
> version is too old, we need at least gromacs 2016!
> Call Stack (most recent call first):
> csg/CMakeLists.txt:85 (find_package)
>
> I have manually checked the "libgromacs.so" and it is present in that
> directory which is unfortunately not seen by cmake.
>
> I would appreciate it if you can provide some ideas.
>
We have reworked the GROMACS detection in the last version of VOTCA (on
GitHub), but
I cannot help much with the mpcdf version.
I will leave it to the other Christoph to respond.
Christoph
Thank you again,
> Anirban
>
> On Fri, Aug 12, 2022 at 6:58 PM Christoph Junghans <[email protected]>
> wrote:
>
>>
>>
>> On Fri, Aug 12, 2022 at 07:14 [email protected] <
>> [email protected]> wrote:
>>
>>> Dear Developers,
>>>
>>> I am trying to install VOTCA on Mac OS Monterey V.12.5. I have all the
>>> dependencies installed as per my understanding. Unfortunately, I get the
>>> following error message early in building the code.
>>>
>>> -- Looking for C++ include cmath - not found
>>> CMake Error at tools/CMakeLists.txt:127 (message):
>>> Could not find needed header - cmath
>>>
>> If there is no cmath header you won’t be able to build VOTCA. I think
>> Xcode has some C++ development environment that you need to install as well.
>>
>> Otherwise if you just want to use VOTCA with modifying the code, install
>> docker for Mac and run the container:
>> $ docker run -it votca/votca /bin/bash
>>
>> Christoph
>>
>>
>>> For your reference, I am using GCC/C++ compilers (via Xcode). Below are
>>> the options I am using.
>>>
>>> cmake -DBUILD_CSGAPPS=ON -DBUILD_CTP=ON -DBUILD_XTP=OFF
>>> -DCMAKE_INSTALL_PREFIX=${prefix} -DBUILD_CTP_MANUAL=ON ..
>>>
>>> Please advise.
>>> Thank you.
>>> Anirban
>>>
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>>>
>> --
>> Christoph Junghans
>> Web: http://www.compphys.de
>>
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