David A Case

On Fri, Oct 28, 2016, Jason Swails wrote: > Back-end services should generally try to avoid requirements that bleed > into the global namespace (like environment variables). I think we...

We want to make this recipe to the right thing for pytraj. There is a `libcpptraj.so` file in $CONDA_PREFIX/lib in the conda package. I don't know what headers `pytraj` needs,...

> I've made some progress on fixing external readline support in cpptraj. It will be in a separate branch that can then eventually be merged into this PR, which should...

Let me work on this, to make sure the conda package is still OK at my end (i.e. before you do more on this PR at your end. See also...

@drroe As I mentioned above, I don't think it's worth your while to do anything with this PR per se. If you find some time (absolutely no rush!), what would...

I've had less success here. I grabbed the code from `[akhilshajan:QUICK_Constrained_Optimization]`, built and tested it with the sample input above (and other sample inputs). It never seems to recognize the...

You are right to some extent. I had to update my LD_LIBRARY_PATH (doesn't seem to be done via `quick.rc`(?) Now, `ldd` shows I am using `/usr/local/lib/libquick_cuda.so` instead of the one...

Ah...my fault. I had built from the master branch, and not from Quick_Constrained_Optimization. Thanks for your help; apologies for the noise. Everything now seems to work as I expected.

I am not familiar with the Arch User Repository, but is there some way to "pin" python to a given version? As an additional example, parts of AmberTools (I'm not...

@hainm Where are the header files pytraj needs? Does cpptraj put them in $CPPTRAJHOME/include?