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/
> osx-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 - 19:30:03 PDT
