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science/py-kimpy: New port: Python interface to the KIM-API

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Yuri Victorovich 2022-10-07 06:57:02 -08:00
parent 3625af8f0c
commit 7fa243eab7
4 changed files with 34 additions and 0 deletions
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1
science/Makefile
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@ -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

24
science/py-kimpy/Makefile Normal file
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@ -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 <bsd.port.mk>

3
science/py-kimpy/distinfo Normal file
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@ -0,0 +1,3 @@
TIMESTAMP = 1665163012
SHA256 (kimpy-2.0.1.tar.gz) = b6670eff6e36bc63836b43073ad302881a88dc509086758f5781b2ed9227444e
SIZE (kimpy-2.0.1.tar.gz) = 52108

6
science/py-kimpy/pkg-descr Normal file
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@ -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).