hi
For the sake of completeness:
AmberTools has nightly build (thanks to free service from circleci.com),
you can always download Linux-binary build via
python AmberTools/src/download_circleci_AmberTools.py --exclude-conda
(add -h for further info)
PS: Nightly build of PHENIX
<
https://www.phenix-online.org/documentation/index.html> has been
integrating with AT nightly build for a while,
so things work nicely.
cheers.
Hai
On Thu, Apr 13, 2017 at 10:26 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> Hi all (again)
>
> for anyone using conda, you can try via:
>
> conda install ambertools=17 -c http://ambermd.org/downloads/
> ambertools-rc/conda/
>
> That's it. sander/tleap/cpptraj or any expected program should work
> without doing further setup.
>
> should work with both linux and macos. for python 2.7 --> 3.6.
>
>
> NOTE 1:
>
> If you would like to run full test, please follow below step
>
>
> # setup test folders (similiar to my previous email)
>
> amber.setup_test_folders ~/amber_git/amber
>
> export AMBERHOME=`python -c 'import sys; print(sys.prefix)'`# there is no
> step called "sourceamber.sh" in this case
>
> cd $AMBERHOME
>
> make test
>
>
> NOTE 2: You don't need to export AMBERHOME for using any programs in
> AmberTools here (only need to running tests since several tests require
> AMBERHOME env)
>
>
> Hai
>
> On Thu, Apr 13, 2017 at 9:10 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>
>> MacOS binary is available too:
>>
>> http://ambermd.org/downloads/ambertools-rc/non-conda/rc-3/os
>> x-64.ambertools-17.0-0.13Apr17.tar.bz2
>>
>> Hai
>>
>>
>> On Thu, Apr 13, 2017 at 8:43 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
>>
>>> I sent previous email with few MB log files so my email did not go
>>> through. Resend with log links:
>>>
>>> Hai
>>>
>>> On Thu, Apr 13, 2017 at 12:58 PM, David Case <david.case.rutgers.edu>
>>> wrote:
>>>
>>>>
>>>>
>>>> Hai: can you point developers to binary distributions made from the
>>>> latest
>>>> amber17-with-patches branch?
>>>>
>>>
>>> Hi all, please see the ambertools binary rc-3 here:
>>>
>>> http://ambermd.org/downloads/ambertools-rc/non-conda/rc-3/li
>>> nux-64.ambertools-17.0-0.13Apr17.tar.bz2
>>>
>>> How to run tests: Given that you have master branch in
>>> $HOME/amber_git/amber
>>>
>>> mkdir $HOME/test
>>> cd $HOME/test
>>> wget http://ambermd.org/downloads/ambertools-rc/non-conda/rc
>>> -3/linux-64.ambertools-17.0-0.13Apr17.tar.bz2
>>> tar -xf llinux-64.ambertools-17.0-0.13Apr17.tar.bz2
>>> source amber17/amber.sh
>>>
>>> # AT binara distribution does not include test folders, so we use source
>>> code to create symlink for testing.
>>> amber.setup_test_folders ~/amber_git/amber
>>>
>>> cd $AMBERHOME
>>> make test
>>>
>>> .Dave: I am running tests for this binary but getting error with rism
>>> (compiled with gcc 4.8.2, linux, centos 5, tested on casegroup).
>>>
>>> libsff.a(amber_rism_interface.NAB.o): In function
>>> `rism_writevolumetricdata_':
>>>
>>> amber_rism_interface.F90:(.text+0xcc5): undefined reference to
>>> `_gfortran_transfer_integer_write'
>>>
>>> ...
>>>
>>>
>>> (unfinished) test.log and build.log:
>>>
>>>
>>> https://raw.githubusercontent.com/hainm/tmp/master/rc-17/test.log
>>>
>>> https://raw.githubusercontent.com/hainm/tmp/master/rc-17/build.log
>>>
>>>
>>> Hai
>>>
>>
>>
>
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Received on Thu Apr 13 2017 - 21:30:02 PDT
