Earlier versions were pinning numpy to a lower version,
causing conflicts with the pymatgen compilation
which was built against a newer numpy version that was then forced to downgrade.
Note, this issue is not identified by pip check!
Also added a test for the pymatgen import, such that the first commit (without the upgrade) should fail, then the 2nd should pass
⬆️ UPGRADE: aiida-fleur 1.1.4
Earlier versions were pinning numpy to a lower version, causing conflicts with the pymatgen compilation which was built against a newer numpy version that was then forced to downgrade.
Note, this issue is not identified by
pip check!Also added a test for the pymatgen import, such that the first commit (without the upgrade) should fail, then the 2nd should pass