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lammps
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do not require the LAMMPS shared library when loading the python wrapper from inside LAMMPS 

Thanks to Giacomo Fiorin for figuring this out with NAMD/Colvars.
This requires linking with -Xlinker -export-dynamic or equivalent,
which is the default when using python-config to provide linker flags.
We will fall back to loading the DSO in case the initial load fails.
This commit is contained in:
Axel Kohlmeyer 2016-10-12 18:36:38 -04:00
parent 63e71cd45b
commit 0b426dadc1
1 changed files with 14 additions and 7 deletions
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21
python/lammps.py
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@ -58,6 +58,13 @@ class lammps(object):
# determine module location
modpath = dirname(abspath(getsourcefile(lambda:0)))
self.lib = None
# if a pointer to a LAMMPS object is handed in, all symbols should already be available.
try:
if ptr: self.lib = CDLL("",RTLD_GLOBAL)
except:
self.lib = None
# load liblammps.so unless name is given.
# e.g. if name = "g++", load liblammps_g++.so
@ -66,13 +73,13 @@ class lammps(object):
# does not need to be set for regular installations.
# fall back to loading with a relative path, which typically
# requires LD_LIBRARY_PATH to be set appropriately.
try:
if not name: self.lib = CDLL(join(modpath,"liblammps.so"),RTLD_GLOBAL)
else: self.lib = CDLL(join(modpath,"liblammps_%s.so" % name),RTLD_GLOBAL)
except:
if not name: self.lib = CDLL("liblammps.so",RTLD_GLOBAL)
else: self.lib = CDLL("liblammps_%s.so" % name,RTLD_GLOBAL)
if not self.lib:
try:
if not name: self.lib = CDLL(join(modpath,"liblammps.so"),RTLD_GLOBAL)
else: self.lib = CDLL(join(modpath,"liblammps_%s.so" % name),RTLD_GLOBAL)
except:
if not name: self.lib = CDLL("liblammps.so",RTLD_GLOBAL)
else: self.lib = CDLL("liblammps_%s.so" % name,RTLD_GLOBAL)
# if no ptr provided, create an instance of LAMMPS
# don't know how to pass an MPI communicator from PyPar