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There is currently a bug in mBuild 0.16.0 that makes the test_gmso_charmm_writer.py test file fail, specifically for the test below:
test_gmso_charmm_writer.py
def test_write_inp_zeolite_non_othoganol_water_box_0_altered_under_hood( self, water ):
Also, we will have to remove sympy and replace it with symengine and/or python-symengine, like done in mosdef-hub/gmso#696 .
enviroment.yml
doc/environment_docs.yml
sympy.simplify
gmso
mosdef-gomc
I don't think symengine as a simplify function
After this is fixed in mBuild we can bump the install version of mBuild past 0.16.0, meaning the likely new version mBuild 0.16.x.
The text was updated successfully, but these errors were encountered:
Successfully merging a pull request may close this issue.
There is currently a bug in mBuild 0.16.0 that makes the
test_gmso_charmm_writer.py
test file fail, specifically for the test below:Also, we will have to remove sympy and replace it with symengine and/or python-symengine, like done in mosdef-hub/gmso#696 .
enviroment.yml
anddoc/environment_docs.yml
filessympy.simplify
to 'symengine.sympify'gmso
, and remove the duplicate files frommosdef-gomc
I don't think symengine as a simplify function
After this is fixed in mBuild we can bump the install version of mBuild past 0.16.0, meaning the likely new version mBuild 0.16.x.
The text was updated successfully, but these errors were encountered: