rmcgibbo / openmm-cmd

OpenMM Command Line Application
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Remaining issues before 0.1-beta #8

Closed rmcgibbo closed 11 years ago

rmcgibbo commented 11 years ago
  1. Run OpenMM version check. Only versions >=5.1 are supported, but some 5.2-dev features are exposed by the script that won't work with 5.1, like the anisotropic barostat. error out elegantly in this case.
  2. Try to run all of the examples under the 5.1 release version as a test.
  3. Rewrite the readme in a more concise format.
  4. Create a tarball release, and perhaps also post it on pypi so people can pip install it (the easier this code is to get/install, the more likely we are to get some users to actually test it).
  5. Send email to peter to post on the OpenMM forums and stuff, advertizing the beta test. 6 ...
  6. Profit.
leeping commented 11 years ago

These sound good. Would you like me to do some of these, or are you planning to do it?

rmcgibbo commented 11 years ago

Do you want to write up the readme? I can do the rest.

leeping commented 11 years ago

Sure, I'll do it.

On Aug 11, 2013, at 4:10 PM, Robert McGibbon wrote:

Do you want to write up the readme? I can do the rest.

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

leeping commented 11 years ago

I uploaded the new readme, let me know what you think (I didn't replace the old one, it's a new file.)