Access to OpenMM version number via Python API? about openmm

[VijayPande]

+1 good point

Sent from my Phone. Sorry for the brevity or unusual tone.

On Aug 1, 2013, at 12:42 PM, John Chodera [email protected] wrote:

Is there a way to access the OpenMM version number via the Python API?

Setting, for example, simtk.openmm.version to something appropriate, or adding a simtk.openmm.getVersion() method would be helpful.

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[rmcgibbo]

mm.Platform.getVersion I think.

-Robert
Sent from my iPhone.

On Thu, Aug 1, 2013 at 12:49 PM, Vijay Pande [email protected]
wrote:

+1 good point
Sent from my Phone. Sorry for the brevity or unusual tone.
On Aug 1, 2013, at 12:42 PM, John Chodera [email protected] wrote:

Is there a way to access the OpenMM version number via the Python API?

Setting, for example, simtk.openmm.version to something appropriate, or adding a simtk.openmm.getVersion() method would be helpful.

—
Reply to this email directly or view it on GitHub.

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Reply to this email directly or view it on GitHub:
#88 (comment)

[rmcgibbo]

A useful addition might be to have the git commit tag of the installation accessible from the python API. This is useful for people using the dev branch as opposed to the released versions.

I can submit a PR for this, based on code from numpy (BSD). 

-Robert
Sent from my iPhone.

On Thu, Aug 1, 2013 at 12:49 PM, Vijay Pande [email protected]
wrote:

+1 good point
Sent from my Phone. Sorry for the brevity or unusual tone.
On Aug 1, 2013, at 12:42 PM, John Chodera [email protected] wrote:

Is there a way to access the OpenMM version number via the Python API?

Setting, for example, simtk.openmm.version to something appropriate, or adding a simtk.openmm.getVersion() method would be helpful.

—
Reply to this email directly or view it on GitHub.

---

Reply to this email directly or view it on GitHub:
#88 (comment)

[jlmaccal]

A useful addition might be to have the git commit tag of the installation accessible from the python API. This is useful for people using the dev branch as opposed to the released versions.

I think that would be a great addition.

[jchodera]

A useful addition might be to have the git commit tag of the installation accessible from the python API. This is useful for people using the dev branch as opposed to the released versions.

Agreed!

[jchodera]

simtk.openmm.__version__ still just reports 1.0. PEP 8 suggests this string should report the current version. Could we change this to report the full_version or short_version by reporting it from the new simtk.openmm.version module?

>>> print simtk.openmm.__version__
1.0

[rmcgibbo]

It should be just a small change to this, with a little import . There's also this line, but I'm not sure if it actually has any effect.

[peastman]

I just checked in the fix. simtk.openmm.version is now set from Platform.getOpenMMVersion().