Thanks! I tried Spack but it faced errors compiling boost. 

I ended up compiling my own boost using gcc 7.2.0.  And then I had to make 
cmake refer to the new boost directory.

This ended up being my command for cmake:
BOOST_ROOT=/moto/kumar/users/cfk2120/boost 
CC=/cm/local/apps/gcc/7.2.0/bin/gcc CXX=/cm/local/apps/gcc/7.2.0/bin/g++ 
../../my_cmake/bin/cmake -DBUILD_CSAPPS=ON 
-DCMAKE_INSTALL_PREFIX=/moto/home/cfk2120/packages/votca_build 
-DGROMACS_INCLUDE_DIR=/moto/kumar/users/cfk2120/serial_gromacs/include 
-DGROMACS_LIBRARY=/moto/kumar/users/cfk2120/serial_gromacs/lib64/libgromacs.so  
..

On Monday, August 31, 2020 at 8:27:45 PM UTC-4 Christoph Junghans wrote:

> On Mon, Aug 31, 2020 at 6:23 PM Clement Koh <[email protected]> wrote:
> >
> > Thanks for the quick reply. I used gcc 7.2.0 instead and now I'm stuck 
> on the following error:
> The error below looks like the boost has been compiled with an older 
> compiler.
>
> I recommend building votca with Spack, see
> https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst#spack
> that will build all the dependencies as well.
>
> Christoph
> >
> > Scanning dependencies of target votca_tools_manpages
> > [ 0%] Built target votca_tools_manpages
> > Scanning dependencies of target gitversion
> > Current git revision is 521998a
> > [ 0%] Built target gitversion
> > Scanning dependencies of target votca_tools
> > [ 1%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/akimaspline.cc.o
> > [ 2%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/application.cc.o
> > [ 2%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/calculator.cc.o
> > [ 3%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/colors.cc.o
> > [ 4%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/correlate.cc.o
> > [ 5%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/crosscorrelate.cc.o
> > [ 6%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/cubicspline.cc.o
> > [ 6%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/datacollection.cc.o
> > [ 7%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/edge.cc.o
> > [ 8%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/edgecontainer.cc.o
> > [ 9%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/elements.cc.o
> > [ 10%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/filesystem.cc.o
> > [ 10%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/globals.cc.o
> > [ 11%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/graph.cc.o
> > [ 12%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/graph_bf_visitor.cc.o
> > [ 13%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/graph_df_visitor.cc.o
> > [ 14%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/graphalgorithm.cc.o
> > [ 14%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/graphdistvisitor.cc.o
> > [ 15%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/graphnode.cc.o
> > [ 16%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/graphvisitor.cc.o
> > [ 17%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/histogram.cc.o
> > [ 18%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/histogramnew.cc.o
> > [ 18%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/linalg.cc.o
> > [ 19%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/linspline.cc.o
> > [ 20%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/mutex.cc.o
> > [ 21%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/parcer.cc.o
> > [ 22%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/property.cc.o
> > [ 22%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/propertyiomanipulator.cc.o
> > [ 23%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/rangeparser.cc.o
> > [ 24%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/reducededge.cc.o
> > [ 25%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/reducedgraph.cc.o
> > [ 26%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/spline.cc.o
> > [ 26%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/table.cc.o
> > [ 27%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/thread.cc.o
> > [ 28%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/tokenizer.cc.o
> > [ 29%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/version.cc.o
> > [ 30%] Linking CXX shared library libvotca_tools.so
> > [ 30%] Built target votca_tools
> > Scanning dependencies of target votca_property
> > [ 30%] Building CXX object 
> tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o
> > [ 31%] Linking CXX executable votca_property
> > CMakeFiles/votca_property.dir/votca_property.cc.o: In function 
> `boost::program_options::typed_value<std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> >, char>::xparse(boost::any&, 
> std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> > > > const&) const':
> > 
> votca_property.cc:(.text._ZNK5boost15program_options11typed_valueINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEcE6xparseERNS_3anyERKSt6vectorIS7_SaIS7_EE[_ZNK5boost15program_options11typed_valueINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEcE6xparseERNS_3anyERKSt6vectorIS7_SaIS7_EE]+0x76):
>  
> undefined reference to `boost::program_options::validate(boost::any&, 
> std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> > > > const&, 
> std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> >*, int)'
> > CMakeFiles/votca_property.dir/votca_property.cc.o: In function 
> `boost::program_options::typed_value<std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> >, char>::name() const':
> > 
> votca_property.cc:(.text._ZNK5boost15program_options11typed_valueINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEcE4nameEv[_ZNK5boost15program_options11typed_valueINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEcE4nameEv]+0x20):
>  
> undefined reference to `boost::program_options::arg[abi:cxx11]'
> > CMakeFiles/votca_property.dir/votca_property.cc.o: In function 
> `boost::program_options::typed_value<long, char>::name[abi:cxx11]() const':
> > 
> votca_property.cc:(.text._ZNK5boost15program_options11typed_valueIlcE4nameB5cxx11Ev[_ZNK5boost15program_options11typed_valueIlcE4nameB5cxx11Ev]+0x20):
>  
> undefined reference to `boost::program_options::arg[abi:cxx11]'
> > CMakeFiles/votca_property.dir/votca_property.cc.o: In function 
> `boost::program_options::validation_error::validation_error(boost::program_options::validation_error::kind_t,
>  
> std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> > const&, std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> > const&, int)':
> > 
> votca_property.cc:(.text._ZN5boost15program_options16validation_errorC2ENS1_6kind_tERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEESA_i[_ZN5boost15program_options16validation_errorC5ENS1_6kind_tERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEESA_i]+0x21):
>  
> undefined reference to 
> `boost::program_options::validation_error::get_template[abi:cxx11](boost::program_options::validation_error::kind_t)'
> > 
> votca_property.cc:(.text._ZN5boost15program_options16validation_errorC2ENS1_6kind_tERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEESA_i[_ZN5boost15program_options16validation_errorC5ENS1_6kind_tERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEESA_i]+0x39):
>  
> undefined reference to 
> `boost::program_options::error_with_option_name::error_with_option_name(std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&, 
> std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> > const&, std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> > const&, int)'
> > CMakeFiles/votca_property.dir/votca_property.cc.o: In function 
> `VotcaProperty::Run()':
> > 
> votca_property.cc:(.text._ZN13VotcaProperty3RunEv[_ZN13VotcaProperty3RunEv]+0x58):
>  
> undefined reference to 
> `boost::program_options::abstract_variables_map::operator[](std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&) const'
> > 
> votca_property.cc:(.text._ZN13VotcaProperty3RunEv[_ZN13VotcaProperty3RunEv]+0x247):
>  
> undefined reference to 
> `boost::program_options::abstract_variables_map::operator[](std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&) const'
> > 
> votca_property.cc:(.text._ZN13VotcaProperty3RunEv[_ZN13VotcaProperty3RunEv]+0x3e7):
>  
> undefined reference to 
> `boost::program_options::abstract_variables_map::operator[](std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&) const'
> > CMakeFiles/votca_property.dir/votca_property.cc.o: In function `void 
> boost::program_options::validate<long, char>(boost::any&, 
> std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> > > > const&, long*, long)':
> > 
> votca_property.cc:(.text._ZN5boost15program_options8validateIlcEEvRNS_3anyERKSt6vectorINSt7__cxx1112basic_stringIT0_St11char_traitsIS7_ESaIS7_EEESaISB_EEPT_l[_ZN5boost15program_options8validateIlcEEvRNS_3anyERKSt6vectorINSt7__cxx1112basic_stringIT0_St11char_traitsIS7_ESaIS7_EEESaISB_EEPT_l]+0x4f8):
>  
> undefined reference to 
> `boost::program_options::invalid_option_value::invalid_option_value(std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&)'
> > 
> CMakeFiles/votca_property.dir/votca_property.cc.o:(.rodata._ZTVN5boost16exception_detail19error_info_injectorINS_15program_options20invalid_option_valueEEE[_ZTVN5boost16exception_detail19error_info_injectorINS_15program_options20invalid_option_valueEEE]+0x30):
>  
> undefined reference to 
> `boost::program_options::error_with_option_name::substitute_placeholders(std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&) const'
> > 
> CMakeFiles/votca_property.dir/votca_property.cc.o:(.rodata._ZTVN5boost16exception_detail10clone_implINS0_19error_info_injectorINS_15program_options20invalid_option_valueEEEEE[_ZTVN5boost16exception_detail10clone_implINS0_19error_info_injectorINS_15program_options20invalid_option_valueEEEEE]+0x38):
>  
> undefined reference to 
> `boost::program_options::error_with_option_name::substitute_placeholders(std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&) const'
> > 
> CMakeFiles/votca_property.dir/votca_property.cc.o:(.rodata._ZTVN5boost16exception_detail19error_info_injectorINS_15program_options16validation_errorEEE[_ZTVN5boost16exception_detail19error_info_injectorINS_15program_options16validation_errorEEE]+0x30):
>  
> undefined reference to 
> `boost::program_options::error_with_option_name::substitute_placeholders(std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&) const'
> > 
> CMakeFiles/votca_property.dir/votca_property.cc.o:(.rodata._ZTVN5boost16exception_detail10clone_implINS0_19error_info_injectorINS_15program_options16validation_errorEEEEE[_ZTVN5boost16exception_detail10clone_implINS0_19error_info_injectorINS_15program_options16validation_errorEEEEE]+0x38):
>  
> undefined reference to 
> `boost::program_options::error_with_option_name::substitute_placeholders(std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&) const'
> > 
> CMakeFiles/votca_property.dir/votca_property.cc.o:(.rodata._ZTVN5boost15program_options16validation_errorE[_ZTVN5boost15program_options16validation_errorE]+0x30):
>  
> undefined reference to 
> `boost::program_options::error_with_option_name::substitute_placeholders(std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&) const'
> > 
> CMakeFiles/votca_property.dir/votca_property.cc.o:(.rodata._ZTVN5boost15program_options20invalid_option_valueE[_ZTVN5boost15program_options20invalid_option_valueE]+0x30):
>  
> more undefined references to 
> `boost::program_options::error_with_option_name::substitute_placeholders(std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&) const' follow
> > 
> CMakeFiles/votca_property.dir/votca_property.cc.o:(.rodata._ZTVN5boost15program_options11typed_valueINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEcEE[_ZTVN5boost15program_options11typed_valueINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEcEE]+0x38):
>  
> undefined reference to 
> `boost::program_options::value_semantic_codecvt_helper<char>::parse(boost::any&,
>  
> std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> > > > const&, bool) const'
> > 
> CMakeFiles/votca_property.dir/votca_property.cc.o:(.rodata._ZTVN5boost15program_options11typed_valueIlcEE[_ZTVN5boost15program_options11typed_valueIlcEE]+0x38):
>  
> undefined reference to 
> `boost::program_options::value_semantic_codecvt_helper<char>::parse(boost::any&,
>  
> std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> > > > const&, bool) const'
> > ../libtools/libvotca_tools.so.6: undefined reference to 
> `boost::program_options::option_description::description[abi:cxx11]() const'
> > ../libtools/libvotca_tools.so.6: undefined reference to 
> `boost::program_options::option_description::format_parameter[abi:cxx11]() 
> const'
> > ../libtools/libvotca_tools.so.6: undefined reference to 
> `boost::program_options::option_description::format_name[abi:cxx11]() const'
> > ../libtools/libvotca_tools.so.6: undefined reference to 
> `boost::program_options::detail::cmdline::cmdline(std::vector<std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> >, 
> std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> > > > const&)'
> > ../libtools/libvotca_tools.so.6: undefined reference to 
> `boost::program_options::to_internal(std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> > const&)'
> > ../libtools/libvotca_tools.so.6: undefined reference to 
> `boost::program_options::options_description::options_description(std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> > const&, unsigned int, 
> unsigned int)'
> > ../libtools/libvotca_tools.so.6: undefined reference to 
> `boost::program_options::detail::cmdline::set_additional_parser(boost::function1<std::pair<std::__cxx11::basic_string<char,
>  
> std::char_traits<char>, std::allocator<char> >, 
> std::__cxx11::basic_string<char, std::char_traits<char>, 
> std::allocator<char> > >, std::__cxx11::basic_string<char, 
> std::char_traits<char>, std::allocator<char> > const&>)'
> > collect2: error: ld returned 1 exit status
> > make[2]: *** [tools/src/tools/votca_property] Error 1
> > make[1]: *** [tools/src/tools/CMakeFiles/votca_property.dir/all] Error 2
> > make: *** [all] Error 2
> >
> > On Monday, August 31, 2020 at 7:44:54 PM UTC-4 Christoph Junghans wrote:
> >>
> >> make_unique is a C++-14 feature, looking at
> >> https://gcc.gnu.org/projects/cxx-status.html#cxx14 it seems gcc 4.8.5
> >> isn't fully supporting that standard.
> >>
> >> Just use a newer compiler.
> >>
> >> Christoph
> >>
> >> On Mon, Aug 31, 2020 at 5:11 PM Clement Koh <[email protected]> wrote:
> >> >
> >> > Hi,
> >> >
> >> > I'm trying to compile votca on my local cluster and I'm facing an 
> error at the make step. Does anyone have any idea what the issue could be? 
> The make step output is below:
> >> >
> >> > Scanning dependencies of target votca_tools_manpages
> >> > [ 0%] Built target votca_tools_manpages
> >> > Scanning dependencies of target gitversion
> >> > Current git revision is 521998a
> >> > [ 0%] Built target gitversion
> >> > Scanning dependencies of target votca_tools
> >> > [ 1%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/akimaspline.cc.o
> >> > [ 2%] Building CXX object 
> tools/src/libtools/CMakeFiles/votca_tools.dir/application.cc.o
> >> > In file included from 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h:23:0,
> >> > from 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/application.h:21,
> >> > from 
> /moto/home/cfk2120/packages/votca/tools/src/libtools/application.cc:19:
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/tokenizer.h: In 
> constructor ‘votca::tools::Tokenizer::Tokenizer(const string&, const 
> char*)’:
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/tokenizer.h:50:11:
>  
> error: ‘make_unique’ is not a member of ‘std’
> >> > tok = 
> std::make_unique<boost::tokenizer<boost::char_separator<char>>>(_str,
> >> > ^
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/tokenizer.h:50:73:
>  
> error: expected primary-expression before ‘>’ token
> >> > tok = 
> std::make_unique<boost::tokenizer<boost::char_separator<char>>>(_str,
> >> > ^
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/tokenizer.h:51:75:
>  
> warning: left operand of comma operator has no effect [-Wunused-value]
> >> > sep);
> >> > ^
> >> > In file included from 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/application.h:21:0,
> >> > from 
> /moto/home/cfk2120/packages/votca/tools/src/libtools/application.cc:19:
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h: In 
> constructor ‘votca::tools::Property::Property(const string&, const string&, 
> const string&)’:
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h:59:7: 
> warning: declaration of ‘path’ shadows a member of 'this' [-Wshadow]
> >> > : _name(name), _value(value), _path(path) {}
> >> > ^
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h:59:7: 
> warning: declaration of ‘value’ shadows a member of 'this' [-Wshadow]
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h:59:7: 
> warning: declaration of ‘name’ shadows a member of 'this' [-Wshadow]
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h: In 
> member function ‘votca::tools::Property& votca::tools::Property::set(const 
> string&, const string&)’:
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h:248:56:
>  
> warning: declaration of ‘value’ shadows a member of 'this' [-Wshadow]
> >> > const std::string &value) {
> >> > ^
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h: In 
> member function ‘votca::tools::Property& votca::tools::Property::add(const 
> string&, const string&)’:
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h:255:56:
>  
> warning: declaration of ‘value’ shadows a member of 'this' [-Wshadow]
> >> > const std::string &value) {
> >> > ^
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h:256:15:
>  
> warning: declaration of ‘path’ shadows a member of 'this' [-Wshadow]
> >> > std::string path = _path;
> >> > ^
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h: In 
> member function ‘void votca::tools::Property::setAttribute(const string&, 
> const T&)’:
> >> > 
> /moto/home/cfk2120/packages/votca/tools/include/votca/tools/property.h:420:50:
>  
> warning: declaration of ‘value’ shadows a member of 'this' [-Wshadow]
> >> > const T &value) {
> >> > ^
> >> > make[2]: *** 
> [tools/src/libtools/CMakeFiles/votca_tools.dir/application.cc.o] Error 1
> >> > make[1]: *** [tools/src/libtools/CMakeFiles/votca_tools.dir/all] 
> Error 2
> >> > make: *** [all] Error 2
> >> >
> >> > I followed the general installation instructions listed online, with 
> my cmake step being:
> >> > cmake -DBUILD_CSAPPS=ON 
> -DCMAKE_INSTALL_PREFIX=/moto/home/cfk2120/packages/votca_build 
> -DGROMACS_INCLUDE_DIR=/moto/kumar/users/cfk2120/serial_gromacs/include 
> -DGROMACS_LIBRARY=/moto/kumar/users/cfk2120/serial_gromacs/lib64/libgromacs.so
>  
> -DLIBXC_LIBRARY=/moto/home/cfk2120/packages/libxc/lib 
> -DLIBXC_INCLUDE_DIR=/moto/home/cfk2120/packages/libxc/include ..
> >> >
> >> > The output of cmake is the following:
> >> > -- The C compiler identification is GNU 4.8.5
> >> > -- The CXX compiler identification is GNU 4.8.5
> >> > -- Check for working C compiler: /usr/bin/cc
> >> > -- Check for working C compiler: /usr/bin/cc -- works
> >> > -- Detecting C compiler ABI info
> >> > -- Detecting C compiler ABI info - done
> >> > -- Detecting C compile features
> >> > -- Detecting C compile features - done
> >> > -- Check for working CXX compiler: /usr/bin/c++
> >> > -- Check for working CXX compiler: /usr/bin/c++ -- works
> >> > -- Detecting CXX compiler ABI info
> >> > -- Detecting CXX compiler ABI info - done
> >> > -- Detecting CXX compile features
> >> > -- Detecting CXX compile features - done
> >> > -- Performing Test COMPILER_SUPPORTS-Wall
> >> > -- Performing Test COMPILER_SUPPORTS-Wall - Success
> >> > -- Performing Test COMPILER_SUPPORTS-Wextra
> >> > -- Performing Test COMPILER_SUPPORTS-Wextra - Success
> >> > -- Performing Test COMPILER_SUPPORTS-Wpedantic
> >> > -- Performing Test COMPILER_SUPPORTS-Wpedantic - Success
> >> > -- Performing Test COMPILER_SUPPORTS-Wshadow
> >> > -- Performing Test COMPILER_SUPPORTS-Wshadow - Success
> >> > -- Performing Test COMPILER_SUPPORTS-Wconversion
> >> > -- Performing Test COMPILER_SUPPORTS-Wconversion - Success
> >> > -- Found Git: /usr/bin/git (found version "1.8.3.1")
> >> > -- Looking for pthread.h
> >> > -- Looking for pthread.h - found
> >> > -- Looking for pthread_create
> >> > -- Looking for pthread_create - not found
> >> > -- Looking for pthread_create in pthreads
> >> > -- Looking for pthread_create in pthreads - not found
> >> > -- Looking for pthread_create in pthread
> >> > -- Looking for pthread_create in pthread - found
> >> > -- Found Threads: TRUE
> >> > -- Boost version: 1.53.0
> >> > -- Found the following Boost libraries:
> >> > -- program_options
> >> > -- filesystem
> >> > -- system
> >> > -- Check size of int
> >> > -- Check size of int - done
> >> > -- Could NOT find MKL (missing: MKL_INCLUDE_DIR MKL_Core_LINK_LIBRARY)
> >> > -- Found Eigen3: /moto/kumar/users/cfk2120/eigen_build
> >> > -- Found PkgConfig: /usr/bin/pkg-config (found version "0.27.1")
> >> > -- Checking for module 'fftw3'
> >> > -- No package 'fftw3' found
> >> > -- Could NOT find FFTW3 (missing: FFTW3_LIBRARY FFTW3_INCLUDE_DIR)
> >> > -- Looking for assert.h
> >> > -- Looking for assert.h - found
> >> > -- Looking for math.h
> >> > -- Looking for math.h - found
> >> > -- Looking for stdio.h
> >> > -- Looking for stdio.h - found
> >> > -- Looking for stdlib.h
> >> > -- Looking for stdlib.h - found
> >> > -- Looking for string.h
> >> > -- Looking for string.h - found
> >> > -- Looking for C++ include cmath
> >> > -- Looking for C++ include cmath - found
> >> > -- Looking for C++ include fstream
> >> > -- Looking for C++ include fstream - found
> >> > -- Looking for C++ include functional
> >> > -- Looking for C++ include functional - found
> >> > -- Looking for C++ include iostream
> >> > -- Looking for C++ include iostream - found
> >> > -- Looking for C++ include limits
> >> > -- Looking for C++ include limits - found
> >> > -- Looking for C++ include list
> >> > -- Looking for C++ include list - found
> >> > -- Looking for C++ include map
> >> > -- Looking for C++ include map - found
> >> > -- Looking for C++ include ostream
> >> > -- Looking for C++ include ostream - found
> >> > -- Looking for C++ include sstream
> >> > -- Looking for C++ include sstream - found
> >> > -- Looking for C++ include stack
> >> > -- Looking for C++ include stack - found
> >> > -- Looking for C++ include stdexcept
> >> > -- Looking for C++ include stdexcept - found
> >> > -- Looking for C++ include string
> >> > -- Looking for C++ include string - found
> >> > -- Looking for C++ include vector
> >> > -- Looking for C++ include vector - found
> >> > -- Looking for sqrt in m
> >> > -- Looking for sqrt in m - found
> >> > -- Found EXPAT: /usr/lib64/libexpat.so (found version "2.1.0")
> >> > -- Performing Test HAVE_AIX
> >> > -- Performing Test HAVE_AIX - Failed
> >> > -- Could NOT find TXT2TAGS (missing: TXT2TAGS_EXECUTABLE)
> >> > txt2tags not found, help cmake to find it by setting 
> TXT2TAGS_EXECUTABLE
> >> > -- Found UnixCommands: /usr/bin/bash
> >> > -- Boost version: 1.53.0
> >> > -- Found the following Boost libraries:
> >> > -- program_options
> >> > -- filesystem
> >> > -- system
> >> > -- Found Eigen3: /moto/kumar/users/cfk2120/eigen_build
> >> > -- Found VOTCA_TOOLS:
> >> > -- Checking for module 'libgromacs_d'
> >> > -- No package 'libgromacs_d' found
> >> > -- Checking for module 'libgromacs'
> >> > -- No package 'libgromacs' found
> >> > -- Looking for c++ gmx_version in 
> /moto/kumar/users/cfk2120/serial_gromacs/lib64/libgromacs.so
> >> > -- Looking for c++ gmx_version in 
> /moto/kumar/users/cfk2120/serial_gromacs/lib64/libgromacs.so - found
> >> > -- Looking for c++ gmx_is_single_precision in 
> /moto/kumar/users/cfk2120/serial_gromacs/lib64/libgromacs.so
> >> > -- Looking for c++ gmx_is_single_precision in 
> /moto/kumar/users/cfk2120/serial_gromacs/lib64/libgromacs.so - found
> >> > -- Looking for c++ gmx_is_double_precision in 
> /moto/kumar/users/cfk2120/serial_gromacs/lib64/libgromacs.so
> >> > -- Looking for c++ gmx_is_double_precision in 
> /moto/kumar/users/cfk2120/serial_gromacs/lib64/libgromacs.so - not found
> >> > -- Found GROMACS: 
> /moto/kumar/users/cfk2120/serial_gromacs/lib64/libgromacs.so (found 
> suitable version "2018.7", minimum required is "2018")
> >> > -- Could NOT find GMX (missing: GMX_EXECUTABLE)
> >> > -- Looking for C++ include algorithm
> >> > -- Looking for C++ include algorithm - found
> >> > -- Looking for C++ include iomanip
> >> > -- Looking for C++ include iomanip - found
> >> > -- Looking for C++ include numeric
> >> > -- Looking for C++ include numeric - found
> >> > -- Looking for C++ include cstdlib
> >> > -- Looking for C++ include cstdlib - found
> >> > -- Could NOT find HDF5 (missing: HDF5_LIBRARIES HDF5_INCLUDE_DIRS C) 
> (found version "")
> >> > -- Could NOT find LMP (missing: LMP_EXECUTABLE)
> >> > -- Could NOT find Doxygen (missing: DOXYGEN_EXECUTABLE)
> >> > -- Could NOT find CLANG_FORMAT: Found unsuitable version "0.0", but 
> required is at least "10" (found CLANG_FORMAT_EXECUTABLE-NOTFOUND)
> >> > -- The following OPTIONAL packages have been found:
> >> >
> >> > * Git
> >> > * UnixCommands
> >> > * PkgConfig
> >> >
> >> > -- The following REQUIRED packages have been found:
> >> >
> >> > * EXPAT
> >> > * Threads
> >> > * Boost (required version >= 1.53.0)
> >> > * Eigen3 (required version >= 3.3.0)
> >> > * GROMACS (required version >= 2018)
> >> >
> >> > -- The following OPTIONAL packages have not been found:
> >> >
> >> > * MKL
> >> > * FFTW3
> >> > * TXT2TAGS
> >> > * HDF5
> >> > * Doxygen
> >> > * CLANG_FORMAT (required version >= 10)
> >> >
> >> > -- Configuring done
> >> > -- Generating done
> >> > CMake Warning:
> >> > Manually-specified variables were not used by the project:
> >> >
> >> > BUILD_CSAPPS
> >> > LIBXC_INCLUDE_DIR
> >> > LIBXC_LIBRARY
> >> >
> >> > --
> >> > 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.
> >> > To unsubscribe from this group and stop receiving emails from it, 
> send an email to [email protected].
> >> > To view this discussion on the web visit 
> https://groups.google.com/d/msgid/votca/ce8d422f-b3a8-4bfa-9fb4-da92af09fd72n%40googlegroups.com
> .
> >>
> >>
> >>
> >> --
> >> Christoph Junghans
> >> Web: http://www.compphys.de
> >
> > --
> > 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.
> > To unsubscribe from this group and stop receiving emails from it, send 
> an email to [email protected].
> > To view this discussion on the web visit 
> https://groups.google.com/d/msgid/votca/69af1833-1d78-4aba-b505-bbd03cc05197n%40googlegroups.com
> .
>
>
>
> -- 
> Christoph Junghans
> Web: http://www.compphys.de
>

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