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Bug #1046

FindGROMACS.cmake is missing check for 4.6

Added by Roland Schulz over 7 years ago. Updated about 7 years ago.

Status:
Closed
Priority:
Normal
Category:
-
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

Results in:
CMake Error at CMakeLists.txt:38 (message):
This template works only with GROMACS 4.6.

BTW: It might be nice to print the detected version.
BTW2: It would be good if the "find_library(GROMACS_LIBRARY ...)" would use as HINT the gromacs installation directory. This would automatically find it (as long as Gromacs isn't moved)

Associated revisions

Revision 3b06730b (diff)
Added by Christoph Junghans over 7 years ago

improve FindGROMACS.cmake

  • added install dirs as hints
  • added code to detect gmx 4.6 beside 4.0, 4.5 and 5.0
  • print version found in templates' CMakeLists.txt

Fixes #1046

Change-Id: I3ba527ab0c517d964fab06ec7f2919d10b25fdf1

History

#1 Updated by Christoph Junghans over 7 years ago

Roland Schulz wrote:

Results in:
CMake Error at CMakeLists.txt:38 (message):
This template works only with GROMACS 4.6.

Actually there is no code to detect GROMACS 4.6 in FindGromacs.cmake ;-)

BTW: It might be nice to print the detected version.

Can be done!

BTW2: It would be good if the "find_library(GROMACS_LIBRARY ...)" would use as HINT the gromacs installation directory. This would automatically find it (as long as Gromacs isn't moved)

How would you guess the installation directory?

#2 Updated by Roland Schulz over 7 years ago

Christoph Junghans wrote:

Roland Schulz wrote:

Results in:
CMake Error at CMakeLists.txt:38 (message):
This template works only with GROMACS 4.6.

Actually there is no code to detect GROMACS 4.6 in FindGromacs.cmake ;-)

Yes that's what I meant with the title ;-)

BTW2: It would be good if the "find_library(GROMACS_LIBRARY ...)" would use as HINT the gromacs installation directory. This would automatically find it (as long as Gromacs isn't moved)

How would you guess the installation directory?

HINT=INSTALL_DIR and then in configure_file replace INSTALL_DIR with ${CMAKE_PREFIX_PATH}

#3 Updated by Roland Schulz over 7 years ago

I suggest we keep that bug open after it is merged in until we tested that it works correctly for master too (after being merged from 4.6->master).

#4 Updated by Erik Lindahl over 7 years ago

  • Target version changed from 4.6 to 5.0

Moved to master (5.0) as target.

#5 Updated by Mark Abraham about 7 years ago

  • Affected version set to 4.6.1

Does it work? Still need merging?

#6 Updated by Christoph Junghans about 7 years ago

  • Status changed from New to Fix uploaded
  • Target version changed from 5.0 to 4.6.2

Got fixed.

#7 Updated by Mark Abraham about 7 years ago

  • Status changed from Fix uploaded to Closed

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