Comments (3)
The issue is now also fixed in the conda package (there was actually an issue with the conda build system itself, not with dscribe). Just update to the latest version from conda-forge.
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Hi @stenczelt ,
I cannot reproduce this issue on a clean python3.7 install using pip globally or within a virtualenv.
Both in this issue and #42 a conda environment is used. Maybe this has something to do with it? I will take a look into this.
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I can reproduce the issue when installing dscribe with conda from conda-forge (i.e. conda install dscribe
). The issue is however limited to the conda package manager, and is not present when installing with pip. The easiest work-around for now is to install dscribe with pip instead. You can do this even inside a conda environment with:
conda install pip
pip install pybind11
pip install dscribe
I would suggest using this for now until I can figure out the issue with the conda distribution.
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Related Issues (20)
- Is it possible to parallelize `lmbtr.create` when working on one `ase.Atoms` object? HOT 3
- Error with np.str (NumPy >= 1.24) HOT 1
- Descriptor that recognizes each atom of the same species differently HOT 1
- The example in README.md is not correct HOT 1
- [Bug] Error in SOAP derivatives when using weighting. HOT 2
- API compatibility is broken since 0696656 HOT 1
- ACSF.create cannot accept cartesian positions as "centers" parameter HOT 2
- Numpy operations on sparsed derivatives HOT 5
- Similarity based on Average kernel obtain deferent value between each atom and its replica atoms. HOT 1
- Similarity value is different between equivalent atoms HOT 5
- Segmentation fault in SOAP for l_max > 9 HOT 2
- Analytic Integral of SH expansion coefficients HOT 2
- SOAP polynomial RBF error HOT 3
- issue with "species" HOT 2
- `CoulombMatrix(permutation="sorted_l2")` is not symmetric HOT 5
- Naming incosistency of rcut in SOAP and MBTR HOT 2
- Potential memory leak in MBTR HOT 2
- Analytical derivatives of SOAP HOT 4
- Identical geometry but similarity < 1 HOT 4
- Numerical SOAP derivatives for periodic systems HOT 6
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