http://msl-libraries.org/api.php?action=feedcontributions&user=Sgfc&feedformat=atomMSL-Libraries - User contributions [en]2024-03-29T09:10:40ZUser contributionsMediaWiki 1.32.6http://msl-libraries.org/index.php?title=Committing_code_to_MSL&diff=902Committing code to MSL2014-05-29T20:51:22Z<p>Sgfc: /* Automated checkin */</p>
<hr />
<div>==Automated checkin==<br />
In the MSL repository exists a "scripts" directory. Inside should be 3 files:<br />
''' submit.py miscUtils.py mslBuildTools.py''' . The primary driver of svn submission is '''submit.py'''<br />
<br />
<br />
* <font color="red">MUST SUBMIT FROM MSLDIR</font><br />
> cd $MSLDIR<br />
<br />
* To add new files, or to submit modified files, run:<br />
>python ./scripts/submit.py --f <file1,file2,file3> --m <description of changes,additions><br />
<br />
Note, you can submit multiple files, each with different descriptions if you wish. For instance, you can run:<br />
<br />
>python ./scripts/submit.py --f file1.cpp --m "This is a message for file 1."<br />
>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."<br />
<br />
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.<br />
<br />
* Once you are ready to submit all of your files, run:<br />
>python ./scripts/submit.py --now --user <Sourceforge username><br />
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<br />
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.<br />
<br />
Use multiple cores (example 8):<br />
>python ./scripts/submit.py --now 8<br />
<br />
* Click here for instructions on how to enable [[Password-less submit to SVN]]</div>Sgfchttp://msl-libraries.org/index.php?title=ToDo&diff=900ToDo2014-03-07T19:42:39Z<p>Sgfc: </p>
<hr />
<div>* '''[[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<br />
* '''[[MSL_Objects:EnergySet|EnergySet]]''': implement: 1) copy constructor; 2) void deleteInteractionsWithAtom(Atom & _a); 3) void deleteInteractionsWithAtoms(AtomPointerVector & _atomVec);<br />
* '''[[MSL_Objects:CharmmSystemBuilder|CharmmSystemBuilder]]''': implement removeIdentity and mutate functions<br />
* Create PDBToplogy object for adding residues to positions<br />
* '''[[MSL_Objects:System|System]]''': copy bonds in copy costructor<br />
* '''[[MSL_Objects:PDBWriter|PDBWriter]]''': proper support for MODELs and alt coordinates<br />
* '''[[MSL_Objects:Position|Position]]''': add support for saveAltCoor to include the current identity/conformer</div>Sgfchttp://msl-libraries.org/index.php?title=Committing_code_to_MSL&diff=898Committing code to MSL2014-02-18T17:09:59Z<p>Sgfc: </p>
<hr />
<div>==Automated checkin==<br />
In the MSL repository exists a "scripts" directory. Inside should be 3 files:<br />
''' submit.py miscUtils.py mslBuildTools.py''' . The primary driver of svn submission is '''submit.py'''<br />
<br />
<br />
* <font color="red">MUST SUBMIT FROM MSLDIR</font><br />
> cd $MSLDIR<br />
<br />
* To add new files, or to submit modified files, run:<br />
>python ./scripts/submit.py --f <list of files> --m <description of changes,additions><br />
<br />
Note, you can submit multiple files, each with different descriptions if you wish. For instance, you can run:<br />
<br />
>python ./scripts/submit.py --f file1.cpp --m "This is a message for file 1."<br />
>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."<br />
<br />
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.<br />
<br />
* Once you are ready to submit all of your files, run:<br />
>python ./scripts/submit.py --now --user <Sourceforge username><br />
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<br />
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.<br />
<br />
Use multiple cores (example 8):<br />
>python ./scripts/submit.py --now 8<br />
<br />
* Click here for instructions on how to enable [[Password-less submit to SVN]]</div>Sgfc