Date: Wed, 5 Aug 2026 03:13:39 +0300 From: Yusuf Yaman <nxjoseph@FreeBSD.org> To: Yuri Victorovich <yuri@FreeBSD.org> Cc: dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org, ports-committers@FreeBSD.org Subject: Re: git: e42721f76d70 - main - science/py-pubchempy: New port: Python wrapper for the PubChem PUG REST API Message-ID: <55ba68ca-c366-4b27-8938-0e2ba148fb23@FreeBSD.org> In-Reply-To: <6a6d973b.19cb0.37c3f919@gitrepo.freebsd.org>
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Hi Yuri, After seeing the report on Bugzilla, it seems that this is duplicate of the port you've already maintainer of: science/py-PubChemPy. This is reported by Matthew Wener <matthew@wener.org>. https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=297289 Thanks. On 8/1/26 09:50, Yuri Victorovich wrote: > The branch main has been updated by yuri: > > URL: https://cgit.FreeBSD.org/ports/commit/?id=e42721f76d70eb046ac8504aeb60fdc65f72450e > > commit e42721f76d70eb046ac8504aeb60fdc65f72450e > Author: Yuri Victorovich <yuri@FreeBSD.org> > AuthorDate: 2026-08-01 06:36:53 +0000 > Commit: Yuri Victorovich <yuri@FreeBSD.org> > CommitDate: 2026-08-01 06:50:07 +0000 > > science/py-pubchempy: New port: Python wrapper for the PubChem PUG REST API > --- > science/Makefile | 1 + > science/py-pubchempy/Makefile | 24 +++++++++++++++++ > science/py-pubchempy/distinfo | 3 +++ > science/py-pubchempy/files/patch-pyproject.toml | 35 +++++++++++++++++++++++++ > science/py-pubchempy/pkg-descr | 4 +++ > 5 files changed, 67 insertions(+) > > diff --git a/science/Makefile b/science/Makefile > index c534521facde..15771d0291c1 100644 > --- a/science/Makefile > +++ b/science/Makefile > @@ -415,6 +415,7 @@ > SUBDIR += py-plumed > SUBDIR += py-pnetcdf > SUBDIR += py-probeinterface > + SUBDIR += py-pubchempy > SUBDIR += py-pupynere > SUBDIR += py-py3Dmol > SUBDIR += py-pyaixi > diff --git a/science/py-pubchempy/Makefile b/science/py-pubchempy/Makefile > new file mode 100644 > index 000000000000..ba9aa414b5d0 > --- /dev/null > +++ b/science/py-pubchempy/Makefile > @@ -0,0 +1,24 @@ > +PORTNAME= pubchempy > +DISTVERSION= 1.0.5 > +CATEGORIES= science python > +MASTER_SITES= PYPI > +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} > + > +MAINTAINER= yuri@FreeBSD.org > +COMMENT= Python wrapper for the PubChem PUG REST API > +WWW= https://github.com/mcs07/PubChemPy > + > +LICENSE= MIT > + > +BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}setuptools>=61.0:devel/py-setuptools@${PY_FLAVOR} \ > + ${PYTHON_PKGNAMEPREFIX}wheel>=0:devel/py-wheel@${PY_FLAVOR} > + > +USES= python:3.10+ > +USE_PYTHON= autoplist pep517 > + > +NO_ARCH= yes > + > +# tests as of 1.0.5: not enabled because every upstream test queries the live > +# PubChem REST API, which is unavailable in the clean poudriere test environment. > + > +.include <bsd.port.mk> > diff --git a/science/py-pubchempy/distinfo b/science/py-pubchempy/distinfo > new file mode 100644 > index 000000000000..8775f06a5579 > --- /dev/null > +++ b/science/py-pubchempy/distinfo > @@ -0,0 +1,3 @@ > +TIMESTAMP = 1785523733 > +SHA256 (pubchempy-1.0.5.tar.gz) = 08f0b2a82a5caa5d61e14935d655da554602d7b5686fe661ab584c882ffff623 > +SIZE (pubchempy-1.0.5.tar.gz) = 26814 > diff --git a/science/py-pubchempy/files/patch-pyproject.toml b/science/py-pubchempy/files/patch-pyproject.toml > new file mode 100644 > index 000000000000..43c22d5a722d > --- /dev/null > +++ b/science/py-pubchempy/files/patch-pyproject.toml > @@ -0,0 +1,35 @@ > +-- Normalize the project name to lowercase and fix invalid PEP 621 license > +-- declaration. Upstream places license-files under [project], which is not > +-- allowed by PEP 621, and uses license = "MIT" instead of the PEP 621 text > +-- form. Newer setuptools rejects the resulting [project] table. Lowercasing > +-- the name also makes the produced wheel match the filename the ports > +-- PEP 517 installer expects. > +-- The setuptools requirement is lowered to the version available in ports. > +--- pyproject.toml.orig > ++++ pyproject.toml > +@@ -1,11 +1,10 @@ > + [project] > +-name = "PubChemPy" > ++name = "pubchempy" > + version = "1.0.5" > + description = "A simple Python wrapper around the PubChem PUG REST API." > + readme = "README.md" > + authors = [{ name = "Matt Swain", email = "m.swain@me.com" }] > +-license = "MIT" > +-license-files = ["LICENSE"] > ++license = {text = "MIT"} > + requires-python = ">=3.10" > + dependencies = [] > + keywords = ["pubchem", "python", "rest", "api", "chemistry", "cheminformatics"] > +@@ -54,9 +53,10 @@ > + > + [tool.setuptools] > + py-modules = ["pubchempy"] > ++license-files = ["LICENSE"] > + > + [build-system] > +-requires = ["setuptools>=77.0.3"] > ++requires = ["setuptools>=61.0"] > + build-backend = "setuptools.build_meta" > + > + [tool.pytest.ini_options] > diff --git a/science/py-pubchempy/pkg-descr b/science/py-pubchempy/pkg-descr > new file mode 100644 > index 000000000000..4b8673135e00 > --- /dev/null > +++ b/science/py-pubchempy/pkg-descr > @@ -0,0 +1,4 @@ > +PubChemPy provides a way to interact with PubChem in Python. It allows > +chemical searches by name, substructure and similarity, chemical > +standardization, conversion between chemical file formats, depiction > +and retrieval of chemical properties. > -- Yusuf Yamanhome | help
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