What — The documentation offers a PyPI installation route that cannot succeed. PyUnitWizard is not published on PyPI, and neither are the two MolSysSuite components it declares as core dependencies.
How —
$ curl -s -o /dev/null -w '%{http_code}' https://pypi.org/pypi/pyunitwizard/json
404
$ curl -s -o /dev/null -w '%{http_code}' https://pypi.org/pypi/smonitor/json
404
$ curl -s -o /dev/null -w '%{http_code}' https://pypi.org/pypi/depdigest/json
404
pyproject.toml declares smonitor>=0.14.0 and depdigest, so even a user who obtained the package another way could not resolve its dependencies from PyPI. The conda route beside it is correct: uibcdf::smonitor is at 0.15.0 and uibcdf::depdigest at 0.10.1 on the channel.
Four places offer the pip route:
README.md:44docs/content/about/installation.md:14docs/content/user/quickstart.md:21docs/content/showcase/PyUnitWizard_Showcase.ipynb cell source, which also pip-installs pint openmm unyt astropy
Why — It is the first instruction a new user follows, and it fails at the first step with a resolver error rather than anything that explains the situation. The showcase notebook is worse, because a reader running it in Colab gets the failure inside a tutorial.
Consuming repository — Found from uibcdf/ackredit while migrating its CI to the suite's conda environments, after Ackredit took smonitor and depdigest as core dependencies (uibcdf/ackredit#6). Ackredit's own installation documentation carried the same defect and has been corrected in uibcdf/ackredit@09393dc; this report is the sibling half of that finding.
Required outcome — A reader should not be given an installation route that cannot work. Whether that means removing the pip instructions, publishing to PyPI, or qualifying them with the channel requirement is a decision for this repository; no implementation is prescribed here.
Related — The underlying question of how MolSysSuite members obtain environments, and why the pip route is not viable for any member with a suite dependency, is reported centrally in uibcdf/molsyssuite.
What — The documentation offers a PyPI installation route that cannot succeed. PyUnitWizard is not published on PyPI, and neither are the two MolSysSuite components it declares as core dependencies.
How —
pyproject.tomldeclaressmonitor>=0.14.0anddepdigest, so even a user who obtained the package another way could not resolve its dependencies from PyPI. The conda route beside it is correct:uibcdf::smonitoris at 0.15.0 anduibcdf::depdigestat 0.10.1 on the channel.Four places offer the pip route:
README.md:44docs/content/about/installation.md:14docs/content/user/quickstart.md:21docs/content/showcase/PyUnitWizard_Showcase.ipynbcell source, which also pip-installspint openmm unyt astropyWhy — It is the first instruction a new user follows, and it fails at the first step with a resolver error rather than anything that explains the situation. The showcase notebook is worse, because a reader running it in Colab gets the failure inside a tutorial.
Consuming repository — Found from
uibcdf/ackreditwhile migrating its CI to the suite's conda environments, after Ackredit tooksmonitoranddepdigestas core dependencies (uibcdf/ackredit#6). Ackredit's own installation documentation carried the same defect and has been corrected inuibcdf/ackredit@09393dc; this report is the sibling half of that finding.Required outcome — A reader should not be given an installation route that cannot work. Whether that means removing the pip instructions, publishing to PyPI, or qualifying them with the channel requirement is a decision for this repository; no implementation is prescribed here.
Related — The underlying question of how MolSysSuite members obtain environments, and why the pip route is not viable for any member with a suite dependency, is reported centrally in uibcdf/molsyssuite.