- Apr 23, 2015
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Carlo Camilloni authored
hopefully will avoid some mail to the mailing list
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- Dec 17, 2014
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Carlo Camilloni authored
close #124
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- Dec 09, 2013
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Giovanni Bussi authored
Allows to avoid verbose logging. The option is now used in user-doc/extract to simplify the generation of code-specific notes (cherry picked from commit 7152d46f) Conflicts: patches/patch.sh
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Gareth Tribello authored
This allows one to create information on the differences in the various patching procedures by executing: plumed patch -i This information is also put into the online manual (cherry picked from commit a273bb84)
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Giovanni Bussi authored
Allows to avoid verbose logging. The option is now used in user-doc/extract to simplify the generation of code-specific notes
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- Dec 07, 2013
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Gareth Tribello authored
This allows one to create information on the differences in the various patching procedures by executing: plumed patch -i This information is also put into the online manual
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- Sep 25, 2013
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Giovanni Bussi authored
I added a new mode to store patches. If one saves them with --save-originals (instead of -s) what happens is that /patches/codename.diff will be a directory. Instead of storing diff files there, we will store original/modified pairs. When patching, if a directory is found in /patches/codename.diff the diff are computed and then reapplied on the actual files. The only change is that the diff is not stored but re-computed on-the-fly. This has a completely equivalent effect of the original way. E.g., one can patch two slightly different versions of an MD code with the same patch. However, it has the advantage that stored files are more friendly. E.g., one could directly edit them. Also the git-merge of two different patches should work better now.
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- Apr 17, 2013
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Giovanni Bussi authored
It is more flexible since it allows adding new files instead of just patching
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Giovanni Bussi authored
An MD engine could have no patch, and do everything with scripting
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- Feb 25, 2013
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Davide Branduardi authored
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- Feb 07, 2013
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Giovanni Bussi authored
Avoid clashes between same patch created by different people
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- Jan 17, 2013
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Carlo Camilloni authored
- the patch.sh and src/lib/Makefile are the same of those in the branch tmp-cmake the CMAKE patch works different from the former gromacs patches: - untar gromacs-4.6b3 (./gromacs-4.6/) - in gromacs-4.6/ copy patch.sh and patch - mkdir a build folder ./gromacs-4.6/gmx-plumed/ - in gmx-plumed/ run cmake ../ to configure gromacs - make / make install as usual there is a bug somewhere for which a "-l" is added before Accelerate in "-framework Accelerate" thus resulting in a compilation error.
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- Dec 03, 2012
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Giovanni Bussi authored
there was a wrong path
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- Nov 23, 2012
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Giovanni Bussi authored
All the source code have been moved into subdirectories of src/ Some of these subdirectories are treated in a special manner: src/wrapper contains the wrappers for MD codes src/main contains the main.cpp file src/config contains files generated without compilation, just based on configuration info src/lib is the place where executables and libraries are put at the end src/cltools contains the command line tools src/tools contains plumed tools (reusable classes) src/basic contains PlumedMain, Action hierarchy and other basic stuff src/multicolvar contains MultiColvar stuff src/imd is the interactive MD (still not totally portable). Notice that, to allow easy inclusion of .h files from other modules, I link all the directories in src/ into module directory. In this way it is possible e.g. to write #include "config/PlumedConfig.h" See src/README and src/basic/Makefile to understand how inter-module dependencies are set
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- Sep 20, 2012
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Giovanni Bussi authored
This is to allow arbitrary scripts to be executed while patching. Note that one should also define an equivalent function for reverting. USE WITH CARE!! And let's try to be strict with this so that patch -r will be usable for all the codes.
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Davide Branduardi authored
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- Apr 13, 2012
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Giovanni Bussi authored
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- Apr 12, 2012
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Giovanni Bussi authored
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- Sep 21, 2011
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Giovanni Bussi authored
Modified the "plumed" script so as to simplify the addition of new tools. To add a new tool just put a script in tools/scripts with extension .sh. The script should understand the keyword "--description" which is used to build a summary of available scripts in the main "plumed" script.
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- Jul 04, 2011
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Giovanni Bussi authored
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- Jun 16, 2011
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Giovanni Bussi authored
This is the draft version that I prepared and that we will use as a starting point. Still it is a bit dirty, and I will try to improve documentation and delete unused routines
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