diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-10-07 14:57:02 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-10-07 18:36:02 +0000 |
| commit | 7fa243eab7d765dda3c3eb02929c005b60984404 (patch) | |
| tree | 4fbeead9594b24c2f6f2ab849452b078c9871035 | |
| parent | 3625af8f0cca04681861253f68ae1de26f4ce5f0 (diff) | |
science/py-kimpy: New port: Python interface to the KIM-API
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-kimpy/Makefile | 24 | ||||
| -rw-r--r-- | science/py-kimpy/distinfo | 3 | ||||
| -rw-r--r-- | science/py-kimpy/pkg-descr | 6 |
4 files changed, 34 insertions, 0 deletions
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 <bsd.port.mk> 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). |