Re: [AMBER-Developers] Amber and gcc6

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Mon, 23 May 2016 18:59:34 -0400

*per pytraj issue*, did you `make distclean` before trying new compiler?

It's fine with gcc6.1 + linux (casegroup). I did `make clean distclean`
first.

$ $CC --version
gcc (GCC) 6.1.0
...

haichit.casegroup ~/amber_git/amber/AmberTools/test (master) $ make
test.pytraj
cd pytraj && make
make[1]: Entering directory
`/u1/haichit/amber_git/amber/AmberTools/test/pytraj'
Testing pytraj
/home/haichit/anaconda3/bin/python test.py
PASSED
make[1]: Leaving directory
`/u1/haichit/amber_git/amber/AmberTools/test/pytraj'

I have not tested OSX yet.

*Per BSC1*, I myself saw some tests failed with this too. (not sure if the
errors are the same as yours)

Hai

On Mon, May 23, 2016 at 5:57 PM, David A Case <david.case.rutgers.edu>
wrote:

> Hi everyone:
>
> Gcc version 6 was released at the end of April, so we can expect people to
> start using it on our code soon. Here's what I know so far:
>
> 1. reduce and pytraj are the two parts that don't build for me (using
> the MacPorts version of gcc 6.1). In reduce, if I add "#define
> OLD_STD_HDRS 1"
> to pdb++.h, that gets rid of many (but not all) the problems. Not sure
> that
> this is the best fix; these changes mostly arise from changes in how
> iostreams are handled, particular in casting iostream results to things
> like
> bool variables. Since iostreams are evil anyway, and I am not much of a
> C++
> person, others will have to look at this.
>
> 2. In line 12 of cphstats/utilities.cpp, changing "return f" to
> "return static_cast<bool>( f );" seems to help. But Dan says he found a
> better way to handle the same problem in cpptraj, so there could be another
> solution there.
>
> 3. If one skips reducen and pytraj, everything builds.
>
> 4. Serial test results: good, except for the very common pytraj problem:
> ImportError:
> dlopen(/home/case/amber16/lib/python2.7/site-packages/pytraj/topology.so,
> 2):
> Symbol not found: __ZN8Topology7AddBondEii
>
> Plus some file diffs in leap/4PY5 and leap/BSC1 that I get with almost
> all compilers: has anyone else seen these?
>
> Anyone wishing to tackle the pytraj and reduce problems are welcome to
> have a
> go!
>
> ....dac
>
>
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Received on Mon May 23 2016 - 16:00:02 PDT
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