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Add warnings for deprecated file formats (protobuf, hoomdxml, Hoomd-Blue and LAMMPS simulation writers) #1188
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for more information, see https://pre-commit.ci
…d into deprecation-warnings
for more information, see https://pre-commit.ci
Ran this locally to test the failing tests, which are all related to packmol. They pass with versions: For the CI, looks like we're installing So that may be the source of the issues, external to the PR. |
Here's the error file in the log that packmol spits out.
|
The messages were updated with the full path to the relevant GMSO writers. |
PR Summary:
Per the last few dev meetings, we've been discussing what needs to be done before releasing 1.0. We decided to clean up and consolidate
conversion.py
which involves moving the backend to GMSO wherever possible, and removing.hoomdxml
and.pb2
readers and writers. Also, we decided to remove anymbuild.format
writers that are now duplicated in GMSO such ascreate_hoomd_simulation
,create_hoomd_forcefield
, andwrite_lammpsdata
.We decided that the first step was including the necessary deprecation warnings in a minor release, which this PR gets started. I think this covers everything that will be removed from mBuild, and any other changes to readers and writers will just involve changing the backend and won't require a deprecation warning. Let me know if I'm missing anything, or if we need to expand in the warning messages.
I can start making the next round of changes in a separate PR.