tblite-python is not importable / pkgconfig for mtclib, s-dftd3, dftd4

[ryanswrt]

Describe the bug

tblite is unusable in python at the moment, failing with

Traceback (most recent call last):
  File "/nix/store/pzbm5ci2h0qlnrzkqxhdm9f0vwr5kal6-python3.10-tblite-0.3.0/lib/python3.10/site-packages/tblite/library.py", line 28, in <module>
    from ._libtblite import ffi, lib
ImportError: /nix/store/pzbm5ci2h0qlnrzkqxhdm9f0vwr5kal6-python3.10-tblite-0.3.0/lib/python3.10/site-packages/tblite/_libtblite.cpython-310-x86_64-linux-gnu.so: undefined symbol: __dftd3_model_MOD___vtab_dftd3_model_D3_model

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/nix/store/pzbm5ci2h0qlnrzkqxhdm9f0vwr5kal6-python3.10-tblite-0.3.0/lib/python3.10/site-packages/tblite/interface.py", line 26, in <module>
    from . import library
  File "/nix/store/pzbm5ci2h0qlnrzkqxhdm9f0vwr5kal6-python3.10-tblite-0.3.0/lib/python3.10/site-packages/tblite/library.py", line 30, in <module>
    raise ImportError("tblite C extension unimportable, cannot use C-API")
ImportError: tblite C extension unimportable, cannot use C-API

I think this is due to incorrect pkgconfig setups - look at https://github.com/NixOS/nixpkgs/blob/e608c90a1cf381dde6ac9e0f085337150f2af3e2/pkgs/development/libraries/toml-f/default.nix#L26

which is correct and outputs

prefix=/nix/store/8irr24ds1c3r08wclk11gpxp3c7f0p7w-toml-f-0.3.1
libdir=${prefix}/lib
includedir=${prefix}/include

Name: toml-f
Description: A TOML parser implementation for data serialization and deserialization in Fortran
Version: 0.3.1
Libs: -L${libdir} -ltoml-f
Cflags: -I${includedir} -I${includedir}/toml-f/GNU-12.2.0

vs

https://github.com/NixOS/nixpkgs/blob/e608c90a1cf381dde6ac9e0f085337150f2af3e2/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix#L27 which is missing the trailing /

Which results in a pkgconfig of

prefix=
libdir=${prefix}//lib
includedir=${prefix}//include

Name: mctc-lib
Description: Modular computation tool chain
Requires: 
Version: 0.3.1
Libs: -L${libdir} -lmctc-lib
Cflags: -I${includedir} -I${includedir}/mctc-lib/GNU-12.2.0

Steps To Reproduce

Steps to reproduce the behavior:

1. Create a nix environment with python3Packages.tblite
2. In the python interpreter, run import tblite.interface as tb
3. See failure

Expected behavior

A clear and concise description of what you expected to happen.

Screenshots

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Additional context

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Notify maintainers

@sheepforce

Metadata

Please run nix-shell -p nix-info --run "nix-info -m" and paste the result.

[user@system:~]$ nix-shell -p nix-info --run "nix-info -m"
output here

[linminhtoo]

i'm having the exact same issue as well :'(