python38Packages.pymatgen: 2022.0.14 -> 2022.0.16

[r-ryantm]

Automatic update generated by nixpkgs-update tools. This update was made based on information from passthru.updateScript.

meta.description for python38Packages.pymatgen is: "A robust materials analysis code that defines core object representations for structures and molecules"

meta.homepage for python38Packages.pymatgen is: "https://pymatgen.org/"

meta.changelog for python38Packages.pymatgen is: ""

Updates performed

• Ran passthru.UpdateScript

To inspect upstream changes

Impact

Checks done (click to expand)

---

• built on NixOS
• The tests defined in passthru.tests, if any, passed
• /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/pmg passed the binary check.
• /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/.gaussian_analyzer-wrapped passed the binary check.
• /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/.pmg-wrapped passed the binary check.
• Warning: no invocation of /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/.feff_plot_cross_section-wrapped had a zero exit code or showed the expected version
• Warning: no invocation of /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/feff_plot_cross_section had a zero exit code or showed the expected version
• /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/feff_plot_dos passed the binary check.
• /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/get_environment passed the binary check.
• /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/gaussian_analyzer passed the binary check.
• /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/.feff_plot_dos-wrapped passed the binary check.
• /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin/.get_environment-wrapped passed the binary check.
• 6 of 10 passed binary check by having a zero exit code.
• 4 of 10 passed binary check by having the new version present in output.
• found 2022.0.16 with grep in /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16
• found 2022.0.16 in filename of file in /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16

---

Rebuild report (if merged into master) (click to expand)

16 total rebuild path(s)

8 package rebuild(s)

8 x86_64-linux rebuild(s)
8 x86_64-darwin rebuild(s)


First fifty rebuilds by attrpath
python38Packages.castepxbin
python38Packages.pymatgen
python38Packages.pymatgen-lammps
python38Packages.sumo
python39Packages.castepxbin
python39Packages.pymatgen
python39Packages.pymatgen-lammps
python39Packages.sumo

Instructions to test this update (click to expand)

---

Either download from Cachix:

nix-store -r /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16 \
  --option binary-caches 'https://cache.nixos.org/ https://nix-community.cachix.org/' \
  --option trusted-public-keys '
  nix-community.cachix.org-1:mB9FSh9qf2dCimDSUo8Zy7bkq5CX+/rkCWyvRCYg3Fs=
  cache.nixos.org-1:6NCHdD59X431o0gWypbMrAURkbJ16ZPMQFGspcDShjY=
  '

(The Cachix cache is only trusted for this store-path realization.)
For the Cachix download to work, your user must be in the trusted-users list or you can use sudo since root is effectively trusted.

Or, build yourself:

nix-build -A python38Packages.pymatgen https://github.com/r-ryantm/nixpkgs/archive/5fd5dd9ca6c0ddb92abe77a9ef3cd37c9426f0d5.tar.gz

After you've downloaded or built it, look at the files and if there are any, run the binaries:

ls -la /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16
ls -la /nix/store/3ahf552az2xxcc9fj4kacr81x42hd8nq-python3.8-pymatgen-2022.0.16/bin

---

Pre-merge build results

We have automatically built all packages that will get rebuilt due to
this change.

This gives evidence on whether the upgrade will break dependent packages.
Note sometimes packages show up as failed to build independent of the
change, simply because they are already broken on the target branch.

Result of nixpkgs-review run on x86_64-linux 1

2 packages marked as broken and skipped:

• python38Packages.pymatgen-lammps
• python39Packages.pymatgen-lammps

6 packages built:

• python38Packages.castepxbin
• python38Packages.pymatgen
• python38Packages.sumo
• python39Packages.castepxbin
• python39Packages.pymatgen
• python39Packages.sumo

---

Maintainer pings

cc @PsyanticY for testing.