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Task #637

Reorganize code from src/kernel/

Added by Teemu Murtola over 9 years ago. Updated over 6 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
build system
Target version:
Difficulty:
uncategorized
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Description

Move code for programs that are built from src/kernel/ into separate subdirectories under src/programs/ and update CMake files accordingly. Code used in multiple programs can go for now under src/gromacs/gmxpreprocess/, and get linked into libgromacs. Only minimal if any changes should be needed to the source files themselves.

Associated revisions

Revision 01491632 (diff)
Added by Teemu Murtola over 9 years ago

Moved mdrun from src/kernel/ to src/programs/mdrun/.

compute_io.* were moved to src/gromacs/gmxpreprocess/ because they are
used by both grompp and mdrun. No other changes were necessary.

IssueID #637

Revision 36ab4073 (diff)
Added by Teemu Murtola over 9 years ago

Moved grompp from src/kernel/ to src/programs/grompp/.

Functions related to topology IO where moved to
src/gromacs/gmxpreprocess/ because they were also referenced by pdb2gmx.

IssueID #637

Revision 9c7e4e67 (diff)
Added by Teemu Murtola over 9 years ago

Moved pdb2gmx from src/kernel/ to src/programs/pdb2gmx/.

Functionality shared with g_x2top and/or g_protonate was moved to
src/gromacs/gmxpreprocess/.

IssueID #637

Revision ec666d52 (diff)
Added by Teemu Murtola over 9 years ago

Moved x2top, gmxcheck and gmxdump to src/programs/.

IssueID #637

Revision d48cc76d (diff)
Added by Teemu Murtola over 9 years ago

Removed libgmxpreprocess from CMake.

All shared content has been moved to src/gromacs/gmxpreprocess/, and it
was no longer referenced by any of the existing code.

IssueID #637

Revision cf22b656 (diff)
Added by Teemu Murtola over 9 years ago

Moved protonate and tpbconv to src/programs/.

IssueID #637

Revision eed611d5 (diff)
Added by Teemu Murtola over 8 years ago

Removed unused code from src/kernel/.

When code from src/kernel/ was originally moved to the new file
hierarchy, these were left over as not necessary for building any of the
binaries. They haven't been included in the build for master for over a
year.

IssueID #637

Change-Id: I37dadf1a77239e554c5968a2c61c163183af65b7

Revision ea83bf89 (diff)
Added by Teemu Murtola over 8 years ago

Remove g_luck.

Also removed any references found with grepping for "luck" in the tree.
With this, there is nothing left in src/kernel/.

Closes #637.

Change-Id: I4f1f229ea7f9a98eed94aa2b891112b3db2bd062

History

#1 Updated by Teemu Murtola over 9 years ago

  • Status changed from New to Feedback wanted
  • % Done changed from 0 to 90

Most of the task is now completed. Now, there remains only g_luck in src/kernel/, and a bunch of dead code that was not included in the build. I would vote for just removing g_luck while where are doing this clean-up, but for the rest of the code, other people are more likely able to say whether they should be retained, moved to contrib, or removed.

It should also be checked that everything works after these file renames. I've only tested a non-MPI build on Macs, but any problems on other platforms should be easy to fix.

#2 Updated by Teemu Murtola over 8 years ago

  • Target version set to 5.0

#3 Updated by Teemu Murtola over 8 years ago

  • Status changed from Feedback wanted to Closed
  • Assignee set to Teemu Murtola

All mentioned code has now been removed.

#4 Updated by Teemu Murtola over 6 years ago

  • Project changed from Source code reorganization to GROMACS
  • Category set to build system

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