job.run does not pickle

[damdaepark]

Hi SCM,

I found that two PLAMS, one installed by pip install plams (through PyPI) and the other one installed by pip install git+https://github.com/SCM-NV/PLAMS.git@master (through source code from Github), behave quite differently.

The latter one does not appropriately save the finished job (pickling .dill file) after job.run(), and this should be addressed.

[damdaepark]

I just found a temporary workaround that changing the code from

def pickle(self, filename=None):
        """Pickle this instance and save to a file indicated by *filename*. If ``None``, save to ``[jobname].dill`` in the job folder."""
        filename = filename or opj(self.path, self.name+'.dill')
        with open(filename, 'wb') as f:
            try:
                pickle.dump(self, f, config.job.pickle_protocol)
            except:
                log('Pickling of {} failed'.format(self.name), 1)

to

def pickle(self, filename=None):
        """Pickle this instance and save to a file indicated by *filename*. If ``None``, save to ``[jobname].dill`` in the job folder."""
        filename = filename or opj(self.path, self.name+'.dill')
        with open(filename, 'wb') as f:
            try:
                # pickle.dump(self, f, config.job.pickle_protocol)
                pickle.dump(self, f, -1)  #! override
            except:
                log('Pickling of {} failed'.format(self.name), 1)

that is inside /plams/core/basejob.py

[dormrod]

Hi, thanks for raising this issue.

The value of config.job.pickle_protocol is set to -1 here on initialisation, so the behaviour of the two snippets above should be the same.

I have confirmed that in the latest version on master, the job is pickled correctly (creating the .dill file) and can be successfully reloaded.

Therefore I am closing this issue as resolved.