From nobody Wed Aug 5 00:13:39 2026 X-Original-To: dev-commits-ports-main@mlmmj.nyi.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mlmmj.nyi.freebsd.org (Postfix) with ESMTP id 4hF9qp2QPYz6ng8h; Wed, 05 Aug 2026 00:13:42 +0000 (UTC) (envelope-from nxjoseph@FreeBSD.org) Received: from smtp.freebsd.org (smtp.freebsd.org [96.47.72.83]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256 client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "smtp.freebsd.org", Issuer "YR1" (not verified)) by mx1.freebsd.org (Postfix) with ESMTPS id 4hF9qp1hS3z45MD; Wed, 05 Aug 2026 00:13:42 +0000 (UTC) (envelope-from nxjoseph@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1785888822; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding: in-reply-to:in-reply-to:references:references:autocrypt:autocrypt; bh=bbdZeMMmn7auMQrmouq+pheXdmbBffMG4I1Tjc3hvJ4=; b=XktZmLbPmCFIv7EiQF6eCQy/5gU5VBcDIZcNC6bzlcBRnzo1b5nvJsTtxa2ZIDT1kVXD+r Hi354vj3Cnz2PV65TySf/95oCO1NiAcDyz1QbVqab9W+MplV0uWTifNivvZUK1+uJf/Tid 4O72haGl/Z3KI++4bUIj7ijz/VLdq455rwVC8zuBXwJExA0VPXw+Np/OTqOONTazs7Ce3K dXouHTZ8dSCN4fb/JcgUr1Ly/iqjgISZajm1V9YYgIGgKOs9SnCOzPF8zx/mG+rO8/FpjG h24jtU8pF8mxg4FG8MtyaoK/VXhczWiG4LDZLOJ068y5kCKNjyqXPtG7c+o+hg== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1785888822; a=rsa-sha256; cv=none; b=smTWKA+6OjhXt0Yy/FDjpivKpy8kZOUf5o3PLq4kv8BVZxx/+Ws+QHo3nxLbTWTpBvLGbI A/ucEbpARO4ifEVj7ySluIIVc6oInn5h5KnnNsda5CoECEBVBhz01Igkqf/qspWYAWihty 0XifOXgClEBtYNEvfoXrMgNO1gxZT3e1JFdzCLGP9T/0jqgqqo+pyiQYbhIS7r6030TupF v0TsRn9fQ+TaUkbtNleorR8wqwCuTFFdO06D/fX4VvbfpVsoW2PnVGTd7q1ZNfdlAZ9hty reSMsmJ9JarjExHesYl8ZMnVdf70msIT8oqrNGSd11RztD3CoRJELZSm9beKBQ== ARC-Authentication-Results: i=1; mx1.freebsd.org; none ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1785888822; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding: in-reply-to:in-reply-to:references:references:autocrypt:autocrypt; bh=bbdZeMMmn7auMQrmouq+pheXdmbBffMG4I1Tjc3hvJ4=; b=CXWhJs5wJgXCQoS449661LIBuaz055jRaf7HHKn+2iV9jCCbk9kID8jtXSKqee0yQF2TQ8 51pq8PmOxut10s+jMkSePCJWNNoqd897rNEODDB/VaQEYh+rGDtIQwBfFerZACpwDLnhDu xa8uj/om+pPyvsLCg9gMCL4vaa6xHoYayzo0bMx7ZPIXX7thgc2BZD/Z/unFN4j4xry8zw SvhDbveNQScLKEdr8L9d+bW4tY8U4nfTzJWXJ389q5E1LlR3kRJSH3r76cZa3uwIHxF+gI +duFSJ5DElWHf8CSHOnORXbUY54MX8N9aSp3oe6lPybmHPcLi/57CGl+AmRhxQ== Received: from [10.0.0.2] (unknown [95.70.234.46]) (using TLSv1.3 with cipher TLS_AES_128_GCM_SHA256 (128/128 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256) (Client did not present a certificate) (Authenticated sender: nxjoseph/mail) by smtp.freebsd.org (Postfix) with ESMTPSA id 4hF9qn2FFjz1BPw; Wed, 05 Aug 2026 00:13:41 +0000 (UTC) (envelope-from nxjoseph@FreeBSD.org) Message-ID: <55ba68ca-c366-4b27-8938-0e2ba148fb23@FreeBSD.org> Date: Wed, 5 Aug 2026 03:13:39 +0300 List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: X-BeenThere: dev-commits-ports-main@freebsd.org Sender: owner-dev-commits-ports-main@FreeBSD.org List-Id: List-Post: List-Help: List-Subscribe: List-Unsubscribe: List-Owner: Precedence: list MIME-Version: 1.0 User-Agent: Mozilla Thunderbird Subject: Re: git: e42721f76d70 - main - science/py-pubchempy: New port: Python wrapper for the PubChem PUG REST API To: Yuri Victorovich References: <6a6d973b.19cb0.37c3f919@gitrepo.freebsd.org> Content-Language: en-US From: Yusuf Yaman Autocrypt: addr=nxjoseph@FreeBSD.org; keydata= xsBNBGmXjHwBCADpUvWH1z+sZCr1rdIj0g9WoPDWSgZBQI18WcgEDrBmlUFH1Yy1s1CS+fVn EJF/4paUrEB6Jd9GwFcBQQNULG8vHAAXv/jJIJSmryYMFudM9ngLQ+38sDUXE9lVx7B2ftac waR8JnE3Ye7D9nswKRxNZUUsHvAfibJlkH9fppGLN2Qf13O5JF+/Ixj0OT4V9Y07UYCyj6Ix vEpAoJ0he8kLXlvyszJXX+5Xl1bwTN4MEmRIUOzoYDKvr5d1q31CgE6G4n8FPo0C/UbxPewR ByQJjqeIxkEVj1h7K2AzyI0wJzpIjFqX+3rfvEqa4lFAmElX0uq2rkTvrCm8O8WlZuMJABEB AAHNIll1c3VmIFlhbWFuIDxueGpvc2VwaEBGcmVlQlNELm9yZz7CwJoEEwEIAEQCGwMFCQWj moAICwkNCAwHCwMFFQoJCAsFFgMCAQACHgUCF4AWIQS288UWH+lY4UkEuP27fccQFxViEgUC aZjvSwIZAQAKCRC7fccQFxViEvZTCADGmfQKUH8GT4OJua7Z0A3pUajvjPcx8hGEzYEpIDPl UuteNaUvKDMgjcNwEHFlO4JfJ7/WhYlv62hQBsRBU6VjivVUAmLhCPTC+nrWs7w5lRiC14zE vA3ZA8Q6XOYSRU16shILRXvDxI18I6qlD5FYMLqMRMRHKOznxpaBROO8gkS4kWVESNBbzZrM B2nOXUieKSZkU5VEWj+jjHat6bQsa6Ua/qMJvY8uLyU19x8CWXxsFPt2i2ehJitUuKshbucY YYIreQZThhdDY/r6xSgPv+8w87g1L4tWzZ6E/XLj5ZL5g73XKTHGYXcWAZhJbjveI+EcaKBb gyQZ40tkJ/SfzsBNBGmXjHwBCACuhVIC5CtuPPP7UtAHAzcmOlq7dHWklLmp/gkz6znz7ZJD bAWVbv04EPp9qRvTM1TZvqXqIAq6Z5u/pZqOA2LsF4x9sNKSGfvfZa69pacrjTvTL6TjtF+R oNYSmF7LuUEPShFBZphLO++hb6DuWl1F28AsoYxbBxwOR3qGddvz3/abXXk6hFLYaRXIMGiS yijj+CSyJ/oeneK3h/sl4WOMZaeDmhYLnOK0Tu2YqV3bSyyyQxS6UNYAVHYvDXh7by4sjJ4T zpQtdtBYOIitIzDNNQzREBQcKzYYRXo1FGVpiFFOgeF9CX42oPNtlUqnHYLcfcwY2CfiMyFE aiPqSjJ3ABEBAAHCwHwEGAEIACYWIQS288UWH+lY4UkEuP27fccQFxViEgUCaZeMfAIbDAUJ BaOagAAKCRC7fccQFxViEv12B/kBmq26PmjODjWCe+dy0kfkRLVqvnSddJGs4MwnHUcTo4gS WsPX0tWCKZFCaeQ/yaylWTxiUUxX/xtpRPUpUH9zWlxoSGsdna8cBEVt/neQIi6gp/uAxNiX QU2dePTRmozUeYDr1quJoXRIHlHqPVWXG6G/hbiRGj7hL1Te08LhMPXNl1n7DFmJAxxOPyQj NKxkCuC2x/W7bgtjLth+BZWjZaAfFs1Um9P2X9bjwZGZooOksdeuPeZ7v2Hx3Q6qcw2Rm+w7 59P/4ihsL9fCjDElayc9ZaE5gACXsjKDYgoxfYpk7+L5lkTR/UM8Q2TMrDN49PDiTHJo94lr wg/2BJ/u Cc: dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org, ports-committers@FreeBSD.org In-Reply-To: <6a6d973b.19cb0.37c3f919@gitrepo.freebsd.org> Content-Type: text/plain; charset=UTF-8; format=flowed Content-Transfer-Encoding: 7bit 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 . 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 > AuthorDate: 2026-08-01 06:36:53 +0000 > Commit: Yuri Victorovich > 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 > 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 Yaman