MSL-Libraries - User contributions [en]

Committing code to MSL

2014-05-29T20:51:22Z

Sgfc: /* Automated checkin */

==Automated checkin==
In the MSL repository exists a "scripts" directory. Inside should be 3 files:
''' submit.py miscUtils.py mslBuildTools.py''' . The primary driver of svn submission is '''submit.py'''

* <font color="red">MUST SUBMIT FROM MSLDIR</font>
> cd $MSLDIR

* To add new files, or to submit modified files, run:
>python ./scripts/submit.py --f <file1,file2,file3> --m <description of changes,additions>

Note, you can submit multiple files, each with different descriptions if you wish. For instance, you can run:

>python ./scripts/submit.py --f file1.cpp --m "This is a message for file 1."
>python ./scripts/submit.py --f file2.cpp file2.h file3.cpp file3.h Makefile --m "This is a message for files 2 and 3, plus the Makefile."

When you run submit in this way, the files are not yet submitted. The script simply keeps track of the files that you intend to submit.

* Once you are ready to submit all of your files, run:
>python ./scripts/submit.py --now --user <Sourceforge username>
This will then pull a fresh tree, copy over the files you have indicated previously when running submit.py -f, and then build the tree. Provided the build
completes successfully, the files will then be submitted to the repository. If the build fails, you'll see an error message. You can correct the error and then run submit.py -now again.

Use multiple cores (example 8):
>python ./scripts/submit.py --now 8

* Click here for instructions on how to enable [[Password-less submit to SVN]]

ToDo

2014-03-07T19:42:39Z

Sgfc:

* '''[[MSL_Objects:CharmmParameterReader|CharmmParameterReader]]''': Add support for wild cards in CHARMM parameter file (used in param 19, not used in 22). Documentation at http://www.charmm.org/html/documentation/c32b2/miscom.html
* '''[[MSL_Objects:EnergySet|EnergySet]]''': implement: 1) copy constructor; 2) void deleteInteractionsWithAtom(Atom & _a); 3) void deleteInteractionsWithAtoms(AtomPointerVector & _atomVec);
* '''[[MSL_Objects:CharmmSystemBuilder|CharmmSystemBuilder]]''': implement removeIdentity and mutate functions
* Create PDBToplogy object for adding residues to positions
* '''[[MSL_Objects:System|System]]''': copy bonds in copy costructor
* '''[[MSL_Objects:PDBWriter|PDBWriter]]''': proper support for MODELs and alt coordinates
* '''[[MSL_Objects:Position|Position]]''': add support for saveAltCoor to include the current identity/conformer

Committing code to MSL

2014-02-18T17:09:59Z

Sgfc:

==Automated checkin==
In the MSL repository exists a "scripts" directory. Inside should be 3 files:
''' submit.py miscUtils.py mslBuildTools.py''' . The primary driver of svn submission is '''submit.py'''

* <font color="red">MUST SUBMIT FROM MSLDIR</font>
> cd $MSLDIR

* To add new files, or to submit modified files, run:
>python ./scripts/submit.py --f <list of files> --m <description of changes,additions>

Note, you can submit multiple files, each with different descriptions if you wish. For instance, you can run:

>python ./scripts/submit.py --f file1.cpp --m "This is a message for file 1."
>python ./scripts/submit.py --f file2.cpp file2.h file3.cpp file3.h Makefile --m "This is a message for files 2 and 3, plus the Makefile."

When you run submit in this way, the files are not yet submitted. The script simply keeps track of the files that you intend to submit.

* Once you are ready to submit all of your files, run:
>python ./scripts/submit.py --now --user <Sourceforge username>
This will then pull a fresh tree, copy over the files you have indicated previously when running submit.py -f, and then build the tree. Provided the build
completes successfully, the files will then be submitted to the repository. If the build fails, you'll see an error message. You can correct the error and then run submit.py -now again.

Use multiple cores (example 8):
>python ./scripts/submit.py --now 8

* Click here for instructions on how to enable [[Password-less submit to SVN]]