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Ran into issue with binstar build

Open jchodera opened this issue 10 years ago • 2 comments

I'm testing out the use of binstar-build to build the openmoltools project.

I ran into a problem with their docker environment and the ambermini dependency where a library used to build sqm was not found: https://anaconda.org/omnia/openmoltools-dev/builds/6/0#L841

Any ideas on a way around this?

jchodera avatar Jun 20 '15 19:06 jchodera

Here's the actual error:

-------------------- >> begin captured logging << --------------------
840openmoltools.amber: DEBUG: antechamber -i /opt/miniconda/envs/_test/lib/python2.7/site-packages/openmoltools-0.6.9.dev0-py2.7.egg/openmoltools/chemicals/sustiva/sustiva.mol2 -fi mol2 -o sustiva.gaff.mol2 -fo mol2 -s 2 -c bcc
841openmoltools.amber: DEBUG: /opt/miniconda/envs/_test/bin/../bin/sqm: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory

jchodera avatar Jun 20 '15 19:06 jchodera

I notice there are some binstar channels with libgfortran packages; is this something we should be building a conda recipe for in omnia?

jchodera avatar Jun 20 '15 19:06 jchodera