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Issues building for Phenix interface

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Issues building for Phenix interface
#1

Hi,

I'm having trouble building 3.14 from the release 371 source on RHEL8 using gcc 8.5.0 following the instructions at https://phenix-online.org/documentation/reference/rosetta_install.html. I realize this is a newer compiler / glibc, but that doesn't seem to be the issue. Instead I seem to be seeing missing / incompatible header issues. Specifically, I get:

g++ -o build/src/release/linux/4.18/64/x86/gcc/8/python/core/scoring/cryst/PhenixInterface.os -c -std=c++0x -ffor-scope -isystem external/boost_submod/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -isystem external/libxml2/include -isystem external/rdkit -pipe -Wall -Wextra -pedantic -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O3 -ffast-math -fno-finite-math-only -funroll-loops -finline-functions -finline-limit=20000 -s -Wno-unused-variable -Wno-unused-parameter -fPIC -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_MATH_FUNCTIONS -DBOOST_DISABLE_THREADS -DPTR_STD -DNDEBUG -DWITH_PYTHON=1 -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/8 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux -Iexternal/include/python2.7 src/core/scoring/cryst/PhenixInterface.cc
src/core/scoring/cryst/PhenixInterface.cc: In constructor 'core::scoring::cryst::PhenixInterface::PhenixInterface()':
src/core/scoring/cryst/PhenixInterface.cc:66:20: error: 'basic::options' has not been declared
  mtzfile_ = basic::options::option[ basic::options::OptionKeys::cryst::mtzfile ]();
                    ^~~~~~~
src/core/scoring/cryst/PhenixInterface.cc:66:44: error: 'basic::options' has not been declared

followed by many more errors all indicative of missing namespaces-names or incomplete / incorrect declarations, and ultimately terminating in a sizeof failure due to application to an incomplete type. (I've attached the complete error log). I tried explicitly including src/basic/basic.hh from PhenixInterface.cc, but that doesn't seem to help. Suggestions would be greatly appreciated.

Thanks!

-jh-

 

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Tue, 2024-04-16 15:54
jmheumann

Hi,

I am facing the same problem trying to install 3.14 release 371 in both Ubuntu 20.04 and 24.04, with gcc 9.4.0. Specifically:

[...]

g++ -o build/src/release/linux/5.15/64/x86/gcc/9/python/core/scoring/methods/dfire/DFIRE_Potential.os -c -std=c++0x -ffor-scope -isystem external/boost_submod/ -isystem external/ -isystem external/include/ -isystem external/dbio/ -isystem external/libxml2/include -isystem external/rdkit -pipe -Wall -Wextra -pedantic -Wno-long-long -Wno-strict-aliasing -march=core2 -mtune=generic -O3 -ffast-math -fno-finite-math-only -funroll-loops -finline-functions -finline-limit=20000 -s -Wno-unused-variable -Wno-unused-parameter -fPIC -DBOOST_ERROR_CODE_HEADER_ONLY -DBOOST_SYSTEM_NO_DEPRECATED -DBOOST_MATH_NO_LONG_DOUBLE_MATH_FUNCTIONS -DBOOST_DISABLE_THREADS -DPTR_STD -DNDEBUG -DWITH_PYTHON=1 -Isrc -Iexternal/include -Isrc/platform/linux/64/gcc/9 -Isrc/platform/linux/64/gcc -Isrc/platform/linux/64 -Isrc/platform/linux -Iexternal/include/python2.7 src/core/scoring/methods/dfire/DFIRE_Potential.cc
g++: warning: switch '-ffor-scope' is no longer supported
src/core/scoring/cryst/PhenixInterface.cc: In constructor 'core::scoring::cryst::PhenixInterface::PhenixInterface()':
src/core/scoring/cryst/PhenixInterface.cc:66:20: error: 'basic::options' has not been declared
   66 |  mtzfile_ = basic::options::option[ basic::options::OptionKeys::cryst::mtzfile ]();
      |                    ^~~~~~~
src/core/scoring/cryst/PhenixInterface.cc:66:44: error: 'basic::options' has not been declared
   66 |  mtzfile_ = basic::options::option[ basic::options::OptionKeys::cryst::mtzfile ]();
      |                                            ^~~~~~~
src/core/scoring/cryst/PhenixInterface.cc: In member function 'void core::scoring::cryst::PhenixInterface::fitBfactors(core::pose::Pose&)':
src/core/scoring/cryst/PhenixInterface.cc:215:14: error: 'initialize_disulfide_bonds' is not a member of 'core::pose'
  215 |  core::pose::initialize_disulfide_bonds( pose );
      |              ^~~~~~~~~~~~~~~~~~~~~~~~~~

[...]

I would love to here if there is any update for this situation. Also, are you able to compile other releases/versions with no errors?

 

Cheers,

Lucas S

Sun, 2024-06-09 12:16
lucas_santos

We're updating the site, and as part of that we're moving the forums to Github Discussions.

If you still have questions or are still having issues, please feel free to open up a thread over there.

Thu, 2024-06-20 11:37
rmoretti