grimme-lab / xtb-python

Python API for the extended tight binding program package
https://xtb-python.readthedocs.io
GNU Lesser General Public License v3.0
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cannot install xtb-python using pip #119

Open miroi opened 5 hours ago

miroi commented 5 hours ago

I cloned xtb-python, installed all dependencies, including intel-mkl and others,

but still gettin this installation error:

milias@DESKTOP-7OTLCGO:~/work/software/xtb/xtb-python/.pip install .
Defaulting to user installation because normal site-packages is not writeable
Processing /home/milias/work/software/xtb/xtb-python
  Installing build dependencies ... done
  Getting requirements to build wheel ... done
  Installing backend dependencies ... done
  Preparing metadata (pyproject.toml) ... error
  error: subprocess-exited-with-error

  × Preparing metadata (pyproject.toml) did not run successfully.
  │ exit code: 1
  ╰─> [22 lines of output]
      + meson setup /home/milias/work/software/xtb/xtb-python /home/milias/work/software/xtb/xtb-python/.mesonpy-bdur4b0_ -Dbuildtype=release -Db_ndebug=if-release -Db_vscrt=md --native-file=/home/milias/work/software/xtb/xtb-python/.mesonpy-bdur4b0_/meson-python-native-file.ini
      The Meson build system
      Version: 1.6.0
      Source dir: /home/milias/work/software/xtb/xtb-python
      Build dir: /home/milias/work/software/xtb/xtb-python/.mesonpy-bdur4b0_
      Build type: native build
      Project name: xtb-python
      Project version: undefined
      C compiler for the host machine: cc (gcc 11.4.0 "cc (Ubuntu 11.4.0-1ubuntu1~22.04) 11.4.0")
      C linker for the host machine: cc ld.bfd 2.38
      Host machine cpu family: x86_64
      Host machine cpu: x86_64
      Found pkg-config: YES (/usr/bin/pkg-config) 0.29.2
      Run-time dependency xtb found: YES 6.7.1
      Program python3 (cffi) found: YES (/usr/bin/python3) modules: cffi
      Run-time dependency python found: YES 3.10
      Configuring _libxtb.h with command
      Configuring _libxtb.c with command

      ../meson.build:77:16: ERROR: Command `/usr/bin/python3 /home/milias/work/software/xtb/xtb-python/ffibuilder.py /home/milias/work/software/xtb/xtb-python/.mesonpy-bdur4b0_/_libxtb.h _libxtb` failed with status 1.

      A full log can be found at /home/milias/work/software/xtb/xtb-python/.mesonpy-bdur4b0_/meson-logs/meson-log.txt
      [end of output]

  note: This error originates from a subprocess, and is likely not a problem with pip.
error: metadata-generation-failed

× Encountered error while generating package metadata.
╰─> See above for output.

note: This is an issue with the package mentioned above, not pip.
hint: See above for details.
awvwgk commented 4 hours ago

For Python 3.12 and newer needs setuptools as a build requirement which is currently not listed in the pyproject.toml correctly.