Devtools framework, conda package, travis tests, updated docs

choderalab / fahmunge

Tools for Munging Folding@Home datasets

MIT License

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Devtools framework, conda package, travis tests, updated docs #27

Closed jchodera closed 8 years ago

jchodera commented 8 years ago

basic devtools framework
travis tests
nightly tests
conda packaging
updated documentation

jchodera commented 8 years ago

Woohoo! All tests pass.

jchodera commented 8 years ago

While travis tests pass, local testing shows this isn't yet working as expected. I'll need to debug what is going on.

jchodera commented 8 years ago

TODO:

[x] document specifications for reference PDB file
[x] locally debug what is going on with test conversion
[x] add timer option for advancing to next project
[x] add more tests

jchodera commented 8 years ago

I've made some major stability and resilience improvements for the parallel munging, and added some more automated testing on real data. I've also changed the projects.csv format to require we specify the MDTraj DSL format topology_selection for each project, but this makes things much more flexible.

The README.md is also up to date.

Presuming all tests pass on travis, I'll do some live testing on the FAH servers in the morning, but then put this into production right away.

jchodera commented 8 years ago

Woohoo! Tests pass.