Hi,
I am trying to get elemental proubaix data with get_pourbaix_entries() function with the new MPRester from mp_api.client, but I got the following errors. It used to work with old pymatgen MPRester. How should I fix this?
Thank you.
Did you install the mpcontribs-client? It looks like MPRester.contribs is set to None which means there should be a warning or error message when you import MPRester. Do you see any message during importing MPRester?
I just installed mpcontrbs-client with “pip install mpcontribs-client”, but I still get the same error.
When I import MPRester, I got following messages.
Thanks for reporting this! The URL to the CFFI documentation suggests that this is an issue affecting specific operating systems. I’ll look into it and will try to release a new version of mpcontribs-client that hopefully circumvents the problem. In the meantime, you might have to use an OS that isn’t as restrictive with write+execute memory.
@johan28 mpcontribs-client==4.5.0 should not have the cffi error anymore. Please give it a try. Thanks!
Hi tschaume,
The problem was solved before after the update of mpcontribs-client, but I recently got similar error again.
Hi johan28,
this is due to a change in the operation IDs for the MPContribs API that went out today. Please upgrade to the latest mp-api==0.30.5 and mpcontribs-client==5.0.4.
best,
Patrick
@tschaume
I am facing the same issue again when using new API. I used mp-api==0.30.5 and mpcontribs-client==5.0.4. But facing the error given below.
AttributeError Traceback (most recent call last)
<ipython-input-25-8e0003795b0e> in <module>
1 # Get all pourbaix entries corresponding to the Cu-O-H chemical system.
----> 2 entries = mpr.get_pourbaix_entries(["Nb", "C", "O"])
/usr/local/lib/python3.8/dist-packages/mp_api/client/mprester.py in get_pourbaix_entries(self, chemsys, solid_compat, use_gibbs)
629
630 # download the ion reference data from MPContribs
--> 631 ion_data = self.get_ion_reference_data_for_chemsys(chemsys)
632
633 # build the PhaseDiagram for get_ion_entries
/usr/local/lib/python3.8/dist-packages/mp_api/client/mprester.py in get_ion_reference_data_for_chemsys(self, chemsys)
749 """
750
--> 751 ion_data = self.get_ion_reference_data()
752
753 return [d for d in ion_data if d["data"]["MajElements"] in chemsys]
/usr/local/lib/python3.8/dist-packages/mp_api/client/mprester.py in get_ion_reference_data(self)
710 compounds and aqueous species, Wiley, New York (1978)'}}
711 """
--> 712 return self.contribs.query_contributions(
713 query={"project": "ion_ref_data"}, fields=["identifier", "formula", "data"], paginate=True
714 ).get("data")
~/.local/lib/python3.8/site-packages/mpcontribs/client/__init__.py in query_contributions(self, query, fields, sort, paginate, timeout)
1558 project_names = list(project_names)
1559
-> 1560 if not skip_dupe_check and len(collect_ids) != len(contributions):
1561 unique_identifiers = self.get_unique_identifiers_flags(projects=project_names)
1562 existing = defaultdict(dict, self.get_all_ids(
~/.local/lib/python3.8/site-packages/mpcontribs/client/__init__.py in get_all_ids(self, query, include, timeout, data_id_fields, fmt, op)
1460 if is_public and not resp["is_approved"]:
1461 return {"error": f"project `{query['project']}` is not approved yet!"}
-> 1462
1463 resp = self.projects.updateProjectByName(
1464 pk=query["project"], project={"is_public": is_public}
~/.local/lib/python3.8/site-packages/mpcontribs/client/__init__.py in get_totals(self, query, timeout, resource, op)
1347 serializable, error = self._is_serializable_dict(data["data"])
1348 if not serializable:
-> 1349 return {"error": error}
1350
1351 query = query or {}
~/.local/lib/python3.8/site-packages/mpcontribs/client/__init__.py in _run_futures(futures, total, timeout, desc, disable)
498
499 for column in columns[key]:
--> 500 param_name = f"{column}__{op}"
501 param_spec = deepcopy(param.param_spec)
502 param_spec["name"] = param_name
/usr/local/lib/python3.8/dist-packages/tqdm/notebook.py in __init__(self, *args, **kwargs)
243 self.displayed = True
244 self.disp = self.display
--> 245 self.colour = colour
246
247 # Print initial bar state
/usr/local/lib/python3.8/dist-packages/tqdm/notebook.py in colour(self, bar_color)
202 def colour(self, bar_color):
203 if hasattr(self, 'container'):
--> 204 self.container.children[-2].style.bar_color = bar_color
205
206 def __init__(self, *args, **kwargs):
AttributeError: 'FloatProgress' object has no attribute 'style'
@nihal I unfortunately can’t reproduce your error with mp_api==0.33.3, pymatgen==2023.7.17, and mpcontribs-client==5.4.2. Try upgrading to these versions.
@tschaume Thanks for the response. I am using following code with the updated versions but still getting the same error.
!pip install pymatgen==2023.7.17
!pip install mp-api==0.33.3
!pip install mpcontribs-client==5.4.2
#NOTE - make sure to paste your new API key below.
MP_API_KEY = “----------------”
from mp_api.client import MPRester
from pymatgen.analysis.pourbaix_diagram import PourbaixDiagram, PourbaixPlotter
%matplotlib inline
Initialize the MP Rester
mpr = MPRester(MP_API_KEY)
entries = mpr.get_pourbaix_entries ([“Cu”])
@nihal the error message tells me that your code is actually not using the latest version of mpcontribs-client. Make sure to use the right python environment and restart your jupyter notebook after upgrading.
Hi tschaume @tschaume , I used the latest mp-api==0.30.5 and mpcontribs-client==5.0.4 but got a KeyError below
Hi tschaume, @tschaume
Thank you for the suggestions! I am able to get the Pourbaix diagram but could not get the heatmap for my materials. I got a ValueError indicating a composition mismatch (snapshot 2) but I was able to find it in the entries (snapshot 3). Is it related to the stoichiometry? The material features FeMn7O10Cl3. The entry ID provided in the snapshot is also correct.
