Add lammps example #3
ligerzero-ai
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1 error and 2 warnings
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build
The process '/usr/share/miniconda/condabin/conda' failed with exit code 1
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build
The following actions uses node12 which is deprecated and will be forced to run on node16: actions/checkout@v2. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
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build
UnsatisfiableError: The following specifications were found to be incompatible with each other:
Output in format: Requested package -> Available versions
Package joblib conflicts for:
structuretoolkit=0.0.6 -> pymatgen[version='>=2023.7.20'] -> joblib[version='>=1.1.1']
mp-api=0.33.3 -> pymatgen[version='>=2022.3.7'] -> joblib
pymatgen=2023.7.20 -> joblib
scikit-learn=1.3.0 -> joblib[version='>=1.1.1']
Package libcurl conflicts for:
lammps -> hdf5[version='>=1.12.1,<1.12.2.0a0'] -> libcurl[version='>=7.81.0,<9.0a0|>=7.82.0,<9.0a0']
h5py=3.9.0 -> hdf5[version='>=1.14.1,<1.14.2.0a0'] -> libcurl[version='>=7.87.0,<9.0a0|>=8.1.2,<9.0a0|>=7.88.1,<9.0a0']
lammps -> libcurl[version='>=7.71.1,<9.0a0|>=7.77.0,<9.0a0|>=7.78.0,<9.0a0|>=7.79.1,<9.0a0|>=7.80.0,<9.0a0|>=7.83.0,<9.0a0|>=7.83.1,<9.0a0|>=7.85.0,<9.0a0|>=7.86.0,<9.0a0|>=7.87.0,<9.0a0|>=7.88.0,<9.0a0|>=7.88.1,<9.0a0|>=8.0.1,<9.0a0|>=8.1.0,<9.0a0|>=8.1.2,<9.0a0']
pyiron_base=0.6.3 -> git -> libcurl[version='>=7.57.0,<9.0a0|>=7.58.0,<9.0a0|>=7.59.0,<9.0a0|>=7.60.0,<9.0a0|>=7.61.0,<9.0a0|>=7.61.1,<9.0a0|>=7.63.0,<9.0a0|>=7.65.3,<9.0a0|>=7.80.0,<9.0a0|>=7.88.1,<9.0a0']
Package pypy3.9 conflicts for:
matplotlib-base=3.7.2 -> pypy3.9[version='>=7.3.11']
scipy=1.11.1 -> numpy[version='>=1.21.6,<1.28'] -> pypy3.9[version='7.3.*|7.3.11.*|>=7.3.9|7.3.9.*|7.3.8.*']
scipy=1.11.1 -> pypy3.9[version='>=7.3.11']
pyscal=2.10.18 -> pypy3.9[version='>=7.3.11|>=7.3.9']
numpy=1.24.3 -> python[version='>=3.9,<3.10.0a0'] -> pypy3.9[version='7.3.*|7.3.11.*|7.3.9.*|7.3.8.*|>=7.3.9']
pyiron_base=0.6.3 -> numpy[version='>=1.19.5'] -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.9|>=7.3.8|7.3.9.*|7.3.8.*']
matplotlib-base=3.7.2 -> certifi[version='>=2020.06.20'] -> pypy3.9[version='7.3.*|7.3.11.*|>=7.3.8|>=7.3.9|7.3.9.*|7.3.8.*']
h5py=3.9.0 -> numpy[version='>=1.21.6,<2.0a0'] -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.9|7.3.9.*|7.3.8.*|>=7.3.8']
seekpath=2.1.0 -> future[version='>=0.15'] -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.8|>=7.3.9|7.3.9.*|7.3.8.*']
pymatgen=2023.7.20 -> frozendict -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.9|7.3.9.*|7.3.8.*|>=7.3.8']
pandas=2.0.3 -> numpy[version='>=1.21.6,<2.0a0'] -> pypy3.9[version='7.3.*|7.3.11.*|>=7.3.9|7.3.9.*|7.3.8.*']
pint=0.22 -> python[version='>=3.9'] -> pypy3.9[version='7.3.11.*|7.3.9.*|7.3.8.*']
phonopy=2.20.0 -> matplotlib-base -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.9|>=7.3.8|7.3.9.*|7.3.8.*']
ase=3.22.1 -> matplotlib-base -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.9|>=7.3.8|7.3.9.*|7.3.8.*']
coverage -> pypy3.9[version='>=7.3.11|>=7.3.9|>=7.3.8']
spglib=2.0.2 -> pypy3.9[version='>=7.3.11|>=7.3.9']
coveralls -> coverage[version='>=4.1,<7.0'] -> pypy3.9[version='7.3.11.*|>=7.3.8|>=7.3.9|7.3.9.*|7.3.8.*|>=7.3.11']
codacy-coverage -> python[version='>=3.5'] -> pypy3.9[version='7.3.11.*|7.3.9.*|7.3.8.*']
coverage -> python[version='>=3.9,<3.10.0a0'] -> pypy3.9[version='7.3.*|7.3.11.*|7.3.9.*|7.3.8.*']
lammps -> n2p2=2.2.0 -> pypy3.9[version='7.3.*|7.3.11.*|>=7.3.8|>=7.3.9|7.3.9.*|7.3.8.*']
numpy=1.24.3 -> pypy3.9[version='>=7.3.11']
spglib=2.0.2 -> numpy[version='>=1.20.3,<2.0a0'] -> pypy3.9[version='7.3.*|7.3.11.*|>=7.3.8|7.3.9.*|7.3.8.*']
structuretoolkit=0.0.6 -> matplotlib-base[version='>=3.7.2'] -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.9|>=7.3.8|7.3.9.*|7.3.8.*']
lammps -> pypy3.9[version='>=7.3.11']
defusedxml=0.7.1 -> python[version='>=3.6'] -> pypy3.9[version='7.3.11.*|7.3.9.*|7.3.8.*']
mendeleev=0.14.0 -> numpy -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.9|>=7.3.8|7.3.9.*|7.3.8.*']
mp-api=0.33.3 -> msgpack-python -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.9|>=7.3.8|7.3.9.*|7.3.8.*']
pandas=2.0.3 -> pypy3.9[version='>=7.3.11']
scikit-learn=1.3.0 -> numpy[version='>=1.21.6,<2.0a0'] -> pypy3.9[version='7.3.11.*|>=7.3.11|>=7.3.9|7.3.9.*|7.3.8.*']
pyscal=2.10.18 -> numpy[version='>=1.20.3,<2.0a0'] -> pypy3.9[version='7.3.*|7.3.11.*|>=7.3.8|7.3.9.*|7.3.8.*']
Package libgfortran5 conflicts for:
phonopy=2.20.0 -> scipy -> libgfortran5[version='>=10.3.0|>=10.4.0|>=11.3.0|>=12.2.0|>=12.3.0|>=9.4.0|>=9.3.0|>=11.2.0']
ase=3.22.1 -> nump
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