Problems solving the environment for atomistics=0.0.6 on python3.10

[niklassiemer]

Currently, the newest release seems to be incompatible to numba in an python 3.10 environment

The following packages are incompatible
├─ atomistics 0.0.6**  is installable and it requires
│  └─ numpy >=1.26.0  with the potential options
│     ├─ numpy 1.26.0, which can be installed;
│     ├─ numpy 1.26.0 would require
│     │  └─ python >=3.11,<3.12.0a0 , which can be installed;
│     ├─ numpy 1.26.0 would require
│     │  └─ python >=3.12.0rc3,<3.13.0a0  with the potential options
│     │     ├─ python 3.12.0, which can be installed;
│     │     └─ python 3.12.0rc3 would require
│     │        └─ _python_rc, which does not exist (perhaps a missing channel);
│     └─ numpy 1.26.0 would require
│        └─ python >=3.9,<3.10.0a0 , which can be installed;
└─ numba is installable with the potential options
   ├─ numba [0.55.0|0.55.1] would require
   │  └─ numpy >=1.18,<1.22 , which conflicts with any installable versions previously reported;
   ├─ numba [0.57.0|0.57.1] would require
   │  └─ numpy >=1.21,!=1.22.0,!=1.22.1,!=1.22.2,<1.25 , which conflicts with any installable versions previously reported;
   ├─ numba [0.36.1|0.36.2|0.38.0|0.38.1|0.40.0] would require
   │  └─ python >=3.5,<3.6.0a0 , which can be installed;
   ├─ numba [0.36.1|0.36.2|...|0.53.1] would require
   │  └─ python >=3.6,<3.7.0a0 , which can be installed;
   ├─ numba [0.38.0|0.38.1|...|0.47.0] would require
   │  └─ python >=2.7,<2.8.0a0 , which can be installed;
   ├─ numba [0.40.0|0.40.1|...|0.56.3] would require
   │  └─ python >=3.7,<3.8.0a0 , which can be installed;
   ├─ numba [0.47.0|0.48.0|...|0.57.1] would require
   │  └─ python >=3.8,<3.9.0a0 , which can be installed;
   ├─ numba [0.53.0|0.53.1|...|0.57.1] would require
   │  └─ python >=3.9,<3.10.0a0 , which can be installed;
   ├─ numba 0.55.2 would require
   │  └─ numpy >=1.18,<1.23 , which conflicts with any installable versions previously reported;
   ├─ numba [0.56.2|0.56.3|0.56.4] would require
   │  └─ numpy >=1.18,!=1.22.0,!=1.22.1,!=1.22.2,<1.24 , which conflicts with any installable versions previously reported;
   └─ numba [0.57.0|0.57.1] would require
      └─ python >=3.11,<3.12.0a0 , which can be installed.

[niklassiemer]

Can we use numpy>=1.24.4 like in pyiron_base?

[niklassiemer]

conda-forge/atomistics-feedstock#17 would thus close this.

[jan-janssen]

Which packages do we have which depend on numba ? I am currently only aware of pyxtal. The issue is that by now the conda packages and the pypi packages synchronise their dependencies.

[jan-janssen]

In particular as the latest pymatgen version also requires numpy>=1.25 https://github.com/materialsproject/pymatgen/blob/master/setup.py#L34

[jan-janssen]

At least the upcoming numba 0.58 version adds support for numpy>=1.25 conda-forge/numba-feedstock#126 numba/numba#9201 (comment)

[niklassiemer]

Thats good :) pyxtal indeed was one of the packages. Others came in via pyiron_experimental where e.g. hyperspy requires numba.

[jan-janssen]

@niklassiemer As we now manage to build the docker containers again, I think this issue is solved, correct ?

[niklassiemer]

Yes this is fixed!