git: 7fa243eab7d7 - main - science/py-kimpy: New port: Python interface to the KIM-API

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=7fa243eab7d765dda3c3eb02929c005b60984404

commit 7fa243eab7d765dda3c3eb02929c005b60984404
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-10-07 14:57:02 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
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 <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).