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xtb-python: patch meson build file #114

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merged 1 commit into from
Jun 6, 2024
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hppritcha
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At least with meson 1.3.2 one has to set pure to false for find installation or else build fails.

Description

Spack build of xtb-python 22.1 using meson 1.3.2 fails

==> Installing py-xtb-22.1-cqclpmntnhow4sclhwir2rm5tfzsl4s7 [43/43]
==> No binary for py-xtb-22.1-cqclpmntnhow4sclhwir2rm5tfzsl4s7 found: installing from source
==> Using cached archive: /users/hpritchard/spack/var/spack/cache/_source-cache/archive/7a/7a59e7b783fc6e8b7328f55211de681e535a83991b07c4bab73494063f5e9018.tar.gz
==> No patches needed for py-xtb
==> py-xtb: Executing phase: 'install'
==> Error: ProcessError: Command exited with status 1:
    '/users/hpritchard/spack/opt/spack/linux-almalinux8-thunderx2/gcc-8.5.0/python-venv-1.0-h4dabrwea4h4cdc3oh7okmt276dyd3xs/bin/python3' '-m' 'pip' '-vvv' '--no-input' '--no-cache-dir' '--disable-pip-version-check' 'install' '--no-deps' '--ignore-installed' '--no-build-isolation' '--no-warn-script-location' '--no-index' '--prefix=/users/hpritchard/spack/opt/spack/linux-almalinux8-thunderx2/gcc-8.5.0/py-xtb-22.1-cqclpmntnhow4sclhwir2rm5tfzsl4s7' '.'

2 errors found in build log:
     51    
     52      + /users/hpritchard/spack/opt/spack/linux-almalinux8-thunderx2/gcc-8.5.0/ninja-1.12.0-rxuhvodren5ri3sejoaquxsxwymagsf3/bin/ninja
     53      [1/3] Compiling C object lib_libxtb.a.p/meson-generated_..__libxtb.c.o
     54      [2/3] Linking static target lib_libxtb.a
     55      [3/3] Linking target _libxtb.cpython-311-aarch64-linux-gnu.so
     56    
  >> 57    ('\x1b[31m',)meson-python: error: The xtb package is split between purelib and platlib: 'purelib/xtb/__init__.py' and 'platlib/xtb/_libxtb.cpython-311-aarch64-linux-gnu.so', a "pure: false" argument may be missing in meson.build. It is recommended to se
           t it in "import('python').find_installation()"
     58      error: subprocess-exited-with-error
     59    
     60      × Preparing metadata (pyproject.toml) did not run successfully.
     61      │ exit code: 1
     62      ╰─> See above for output.
     63    
     64      note: This error originates from a subprocess, and is likely not a problem with pip.
     65      full command: /users/hpritchard/spack/opt/spack/linux-almalinux8-thunderx2/gcc-8.5.0/python-venv-1.0-h4dabrwea4h4cdc3oh7okmt276dyd3xs/bin/python3 /users/hpritchard/spack/opt/spack/linux-almalinux8-thunderx2/gcc-8.5.0/py-pip-23.1.2-pty4hpez4jrdt2zznnhd
           pcf72f6uepf6/lib/python3.11/site-packages/pip/_vendor/pyproject_hooks/_in_process/_in_process.py prepare_metadata_for_build_wheel /tmp/tmp0jvh3gl6
     66      cwd: /tmp/hpritchard/spack-stage/spack-stage-py-xtb-22.1-cqclpmntnhow4sclhwir2rm5tfzsl4s7/spack-src
     67      Preparing metadata (pyproject.toml): finished with status 'error'
  >> 68    error: metadata-generation-failed
     69    
     70    × Encountered error while generating package metadata.
     71    ╰─> See above for output.
     72    
     73    note: This is an issue with the package mentioned above, not pip.
     74    hint: See above for details.

Opening a PR here as the Spack developers prefer patches pulled from PRs etc as opposed to standalone patches.

Changelog description

Fix meson.build

Status

Spack build succeeds with patch based off of this commit.

At least with meson 1.3.2 one has to set pure to false
for find installation or else build fails.

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
@hppritcha
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some context. we are trying to use xtb and the xtb python bindings with examol and were building it using spack and hit this issue.

hppritcha added a commit to hppritcha/spack that referenced this pull request Jun 6, 2024
Using meson 1.3.2 the py-xtb package fails
during the install process.  Error signature shown in

grimme-lab/xtb-python#114

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
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Good catch, thanks for sharing

@awvwgk awvwgk merged commit df7e001 into grimme-lab:main Jun 6, 2024
8 of 14 checks passed
hppritcha added a commit to hppritcha/spack that referenced this pull request Jun 6, 2024
Using meson 1.3.2 the py-xtb package fails
during the install process.  Error signature shown in

grimme-lab/xtb-python#114

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
tldahlgren pushed a commit to spack/spack that referenced this pull request Jun 13, 2024
Using meson 1.3.2 the py-xtb package fails
during the install process.  Error signature shown in

    grimme-lab/xtb-python#114

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
teaguesterling pushed a commit to teaguesterling/spack that referenced this pull request Jun 15, 2024
Using meson 1.3.2 the py-xtb package fails
during the install process.  Error signature shown in

    grimme-lab/xtb-python#114

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
mpokorny pushed a commit to mpokorny/spack that referenced this pull request Jun 20, 2024
Using meson 1.3.2 the py-xtb package fails
during the install process.  Error signature shown in

    grimme-lab/xtb-python#114

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
coltonbh pushed a commit to coltonbh/xtb-python that referenced this pull request Jul 5, 2024
At least with meson 1.3.2 one has to set pure to false
for find installation or else build fails.

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
hariharan-devarajan pushed a commit to hariharan-devarajan/spack that referenced this pull request Jul 10, 2024
Using meson 1.3.2 the py-xtb package fails
during the install process.  Error signature shown in

    grimme-lab/xtb-python#114

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
FrederickDeny pushed a commit to FrederickDeny/spack that referenced this pull request Aug 26, 2024
Using meson 1.3.2 the py-xtb package fails
during the install process.  Error signature shown in

    grimme-lab/xtb-python#114

Signed-off-by: Howard Pritchard <howardp@lanl.gov>
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2 participants