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Fri, 7 Oct 2022 18:36:07 GMT (envelope-from git) Date: Fri, 7 Oct 2022 18:36:07 GMT Message-Id: <202210071836.297Ia7xT087054@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: 7fa243eab7d7 - main - science/py-kimpy: New port: Python interface to the KIM-API 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: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: 7fa243eab7d765dda3c3eb02929c005b60984404 Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; 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mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=7fa243eab7d765dda3c3eb02929c005b60984404 commit 7fa243eab7d765dda3c3eb02929c005b60984404 Author: Yuri Victorovich AuthorDate: 2022-10-07 14:57:02 +0000 Commit: Yuri Victorovich CommitDate: 2022-10-07 18:36:02 +0000 science/py-kimpy: New port: Python interface to the KIM-API --- science/Makefile | 1 + science/py-kimpy/Makefile | 24 ++++++++++++++++++++++++ science/py-kimpy/distinfo | 3 +++ science/py-kimpy/pkg-descr | 6 ++++++ 4 files changed, 34 insertions(+) diff --git a/science/Makefile b/science/Makefile index ac5de659d887..c36eec805b91 100644 --- a/science/Makefile +++ b/science/Makefile @@ -322,6 +322,7 @@ SUBDIR += py-inequality SUBDIR += py-jupyter_jsmol SUBDIR += py-kim-query + SUBDIR += py-kimpy SUBDIR += py-kinematics SUBDIR += py-kliff SUBDIR += py-kpLib diff --git a/science/py-kimpy/Makefile b/science/py-kimpy/Makefile new file mode 100644 index 000000000000..35f2a435c10c --- /dev/null +++ b/science/py-kimpy/Makefile @@ -0,0 +1,24 @@ +PORTNAME= kimpy +DISTVERSION= 2.0.1 +CATEGORIES= science python +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Python interface to the KIM-API +WWW= https://openkim.org/kim-api/ + +LICENSE= CDDL +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR} +LIB_DEPENDS= libkim-api.so:science/kim-api +RUN_DEPENDS= ${PYNUMPY} + +USES= compiler:c++20-lang pkgconfig python:3.6+ +USE_PYTHON= distutils autoplist pytest # tests fail to run, see https://github.com/openkim/kimpy/issues/16 + +post-install: + @${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/kimpy/*${PYTHON_EXT_SUFFIX}.so + +.include diff --git a/science/py-kimpy/distinfo b/science/py-kimpy/distinfo new file mode 100644 index 000000000000..b754d2021c3d --- /dev/null +++ b/science/py-kimpy/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1665163012 +SHA256 (kimpy-2.0.1.tar.gz) = b6670eff6e36bc63836b43073ad302881a88dc509086758f5781b2ed9227444e +SIZE (kimpy-2.0.1.tar.gz) = 52108 diff --git a/science/py-kimpy/pkg-descr b/science/py-kimpy/pkg-descr new file mode 100644 index 000000000000..1ce977c6523b --- /dev/null +++ b/science/py-kimpy/pkg-descr @@ -0,0 +1,6 @@ +kimpy is a Python interface to the KIM API. + +The Knowledgebase of Interatomic Models (KIM) Application Programming Interface +(API) defines a standard (the Portable Model Interface (PMI)) for how molecular +simulators interface with interatomic models (also called potentials or +force-fields).