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enable Kalzium molecule editor?

User avatar TheBlackCat
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enable Kalzium molecule editor?

Thu Sep 09, 2010 3:50 am
Is there anything special I have to do to enable the molecule editor in kalzium? The menu item is grayed out for me.


Man is the lowest-cost, 150-pound, nonlinear, all-purpose computer system which can be mass-produced by unskilled labor.
-NASA in 1965
lueck
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Re: enable Kalzium molecule editor?

Thu Sep 09, 2010 5:31 am
TheBlackCat wrote:Is there anything special I have to do to enable the molecule editor in kalzium? The menu item is grayed out for me.


opengl + avogadro
User avatar TheBlackCat
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Re: enable Kalzium molecule editor?

Thu Sep 09, 2010 6:33 pm
Thanks, Avagadro is missing. openSUSE isn't packaging it for 11.3 some reason.


Man is the lowest-cost, 150-pound, nonlinear, all-purpose computer system which can be mass-produced by unskilled labor.
-NASA in 1965
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Re: enable Kalzium molecule editor?

Sat Sep 11, 2010 8:10 am
Is avagadro a runtime or buildtime dependency? I installed avagadro but it didn't seem to enable the molecular model viewer.


Man is the lowest-cost, 150-pound, nonlinear, all-purpose computer system which can be mass-produced by unskilled labor.
-NASA in 1965
lueck
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Re: enable Kalzium molecule editor?

Sat Sep 11, 2010 9:13 am
TheBlackCat wrote:Is avagadro a runtime or buildtime dependency? I installed avagadro but it didn't seem to enable the molecular model viewer.


kalzium/CMakeLists.txt has:
if (OPENBABEL2_FOUND AND Avogadro_FOUND AND EIGEN2_FOUND)
# avoid compilerwarnings about redefinitions
# todo: use check_function_exits() ?
message(STATUS "Kalzium molecular editor enabled")
if (WIN32)
add_definitions(-DHAVE_SNPRINTF -DHAVE_STRCASECMP -DHAVE_STRNCASECMP)
endif (WIN32)
add_subdirectory(compoundviewer)
else (OPENBABEL2_FOUND AND Avogadro_FOUND AND EIGEN2_FOUND)
message(STATUS "Kalzium molecular editor disabled")
endif (OPENBABEL2_FOUND AND Avogadro_FOUND AND EIGEN2_FOUND)

Looks like a build dependency to me.
User avatar TheBlackCat
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Re: enable Kalzium molecule editor?

Sat Sep 11, 2010 6:21 pm
I checked the build output, it is definitely a build dependency. Thanks for your help.


Man is the lowest-cost, 150-pound, nonlinear, all-purpose computer system which can be mass-produced by unskilled labor.
-NASA in 1965
puller
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Re: enable Kalzium molecule editor?

Mon Oct 28, 2013 9:48 pm
Old thread, but it was useful to me.

For those who cannot enable molecular editor, eigen2 is another dependency:
Code: Select all
if (OPENBABEL2_FOUND AND Avogadro_FOUND AND EIGEN2_FOUND)
  # avoid compilerwarnings about redefinitions
  # todo: use check_function_exits() ?
  message(STATUS "Kalzium molecular editor enabled")
  if (WIN32)
    add_definitions(-DHAVE_SNPRINTF -DHAVE_STRCASECMP -DHAVE_STRNCASECMP)
  endif (WIN32)
  add_subdirectory(compoundviewer)
else (OPENBABEL2_FOUND AND Avogadro_FOUND AND EIGEN2_FOUND)
  message(STATUS "Kalzium molecular editor disabled")
endif (OPENBABEL2_FOUND AND Avogadro_FOUND AND EIGEN2_FOUND)


And from the output of cmake:
Code: Select all
-----------------------------------------------------------------------------
-- The following external packages were located on your system.
-- This installation will have the extra features provided by these packages.
-----------------------------------------------------------------------------
   * OCaml - OCaml is needed by Kalzium for the Equation Solver
   * LibFacile - libfacile is needed by Kalzium for the Equation Solver.
   * OpenBabel2 - OpenBabel is needed by Kalzium for the 3D-molecule viewer
   * Eigen2 - A generic C++ template library for dense and sparse matrices
   * Avogadro - Advanced molecular editor
   * Chemical mime data - Needed to open CML molecules from the file manager


For ubuntu and derivate users:
Code: Select all
sudo apt-get install avogadro libeigen2-dev openbabel chemical-mime-data

 
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