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Python 2.6 compatibility #20
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The argparse backport will probably be required, but I can fix the other problems. Thanks for the heads up! |
Great. Looking forward to give the tool a test run, especially the restarting options as I need to break my simulations into smaller chunks. |
I merged fixes for the issues you identified. With my python2.6.8 installation, everything is humming smoothly. Let me know if you have any issues. |
Installed the updated code and first test run succeeded out of the box. |
We are running all our scientific Linux boxes under CentOS 6 which means the default Python installation is 2.6. I ran into the following compatibility issues:
Issue 1 : ordereddict not available in Python 2.6. This could be resolved by installing the backport of ordereddict into Python 2.6 using "pip install ordereddict". Pip (python-pip) is available in EPEL repository. After that I had to change the line "from collections import OrderedDict" to "from ordereddict import OrderedDict" in the file openmm.
Issue 2: argparse not available in Python 2.6. This could be resolved by installing argparse into Python 2.6 using "pip install argparse".
After resolving issues 1 and 2 I was able to run "open-mm -h". Subsequently I tried running a simple test using the input.pdb file from the OpenMM 5.2 example folder.
Issue 3: Several warnings on TypeErrror:
This is probably related to this issue http://stackoverflow.com/questions/1713038/super-fails-with-error-typeerror-argument-1-must-be-type-not-classobj and is somehow masked by being default in Python 3.X but the need to be declared explicitly in version below 3.0
Issue 4: Not researched so far ... :-)
I would be grateful if you could work on the Python 2.6 compatibility and make life a little bit easier for all the RHEL and CentOS users.
Thanks a lot!
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