Closed giadefa closed 8 years ago
I guess this is related to the error I am seeing.
Any quick fix/workaround?
Thanks, Noelia
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/pyEMMA-2.2-py3.5-linux-x86_64.egg/pyemma/util/_ext/shimmodule.py:131: PyEMMA_DeprecationWarning: Access to a moved module 'pyemma.msm.flux' detected! Please use 'msmtools.flux' in the future.
category=PyEMMA_DeprecationWarning)
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/pyEMMA-2.2-py3.5-linux-x86_64.egg/pyemma/util/_ext/shimmodule.py:131: PyEMMA_DeprecationWarning: Access to a moved module 'pyemma.msm.generation' detected! Please use 'msmtools.generation' in the future.
category=PyEMMA_DeprecationWarning)
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/pyEMMA-2.2-py3.5-linux-x86_64.egg/pyemma/util/_ext/shimmodule.py:131: PyEMMA_DeprecationWarning: Access to a moved module 'pyemma.msm.dtraj' detected! Please use 'msmtools.dtraj' in the future.
category=PyEMMA_DeprecationWarning)
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/pyEMMA-2.2-py3.5-linux-x86_64.egg/pyemma/util/_ext/shimmodule.py:131: PyEMMA_DeprecationWarning: Access to a moved module 'pyemma.msm.estimation' detected! Please use 'msmtools.estimation' in the future.
category=PyEMMA_DeprecationWarning)
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/pyEMMA-2.2-py3.5-linux-x86_64.egg/pyemma/util/_ext/shimmodule.py:131: PyEMMA_DeprecationWarning: Access to a moved module 'pyemma.msm.analysis' detected! Please use 'msmtools.analysis' in the future.
category=PyEMMA_DeprecationWarning)
---------------------------------------------------------------------------
OSError Traceback (most recent call last)
<ipython-input-27-9944f0a767c6> in <module>()
1 metr2 = Metric(sims2,skip=10)
2 metr2.projection(MetricDistance('protein and name CA', 'resname MOL and noh', metric='contacts'))
----> 3 data2 = metr2.project()
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/htmd/projections/metric.py in project(self)
54 uqMol = Molecule(molfile)
55 for proj in self.projectionlist:
---> 56 proj._precalculate(uqMol)
57 #map.append(np.array(proj.getMapping(uqMol), dtype=object))
58 #map = np.hstack(map)
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/htmd/projections/metricdistance.py in _precalculate(self, mol)
54
55 def _precalculate(self, mol):
---> 56 self.precalcsel1 = self._processSelection(mol, self.sel1, self.groupsel1)
57 self.precalcsel2 = self._processSelection(mol, self.sel2, self.groupsel2)
58
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/htmd/projections/metricdistance.py in _processSelection(self, mol, sel, groupsel)
138 if isinstance(sel, str): # If user passes simple string selections
139 if groupsel is None:
--> 140 sel = mol.atomselect(sel)
141 elif groupsel == 'all':
142 sel = self._processMultiSelections(mol, [sel])
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/htmd/molecule/molecule.py in atomselect(self, sel, indexes, strict)
430 chain=self.chain,
431 segname=self.segid, insert=self.insertion, altloc=self.altloc, beta=self.beta,
--> 432 occupancy=self.occupancy)
433 if np.sum(s) == 0 and strict:
434 raise NameError('No atoms were selected with atom selection "{}".'.format(sel))
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/htmd/molecule/vmdparser.py in vmdselection(selection, coordinates, atomname, atomtype, resname, resid, chain, segname, insert, altloc, beta, occupancy, bonds)
59 cdll.LoadLibrary(os.path.join(libdir, "psprolib.dll"))
60
---> 61 parser = cdll.LoadLibrary(os.path.join(libdir, "libvmdparser.so"))
62
63 c_selection = create_string_buffer(selection.encode('ascii'), len(selection) + 1)
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/ctypes/__init__.py in LoadLibrary(self, name)
423
424 def LoadLibrary(self, name):
--> 425 return self._dlltype(name)
426
427 cdll = LibraryLoader(CDLL)
/path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/ctypes/__init__.py in __init__(self, name, mode, handle, use_errno, use_last_error)
345
346 if handle is None:
--> 347 self._handle = _dlopen(self._name, mode)
348 else:
349 self._handle = handle
OSError: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /path/to/site/Linux-x86_64-RHEL6/acellera/current/python/lib/python3.5/site-packages/htmd/lib/basic/Linux/libvmdparser.so)
Can't do Travis builds for RHEL6-er aOSes annoyingly. I can put in a test case that will fail if we inadvertantly push libs that depend on GLIBC_2.14 or later.
Is there any possible workaround in the meanwhile or library I can load? This error affects both htmd and parameterise so we're stuck at the moment.
Thanks, Noelia
No. I'm working on fixing it now.
On 23 May 2016 at 17:05, Noelia Ferruz notifications@github.com wrote:
Is there any possible workaround in the meanwhile or library I can load? This error affects both htmd and parameterise so we're stuck at the moment.
Thanks, Noelia
— You are receiving this because you were assigned. Reply to this email directly or view it on GitHub https://github.com/Acellera/htmd/issues/39#issuecomment-221018739
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Thanks, no problem.
Fixed, and added a build test to ensure there's not another release iwth an accidnetal dependency on port RHEL6 glibc
Some people have RH6 and sometime there are missing libs.