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authorYuri Victorovich <yuri@FreeBSD.org>2022-10-07 14:57:02 +0000
committerYuri Victorovich <yuri@FreeBSD.org>2022-10-07 18:36:02 +0000
commit7fa243eab7d765dda3c3eb02929c005b60984404 (patch)
tree4fbeead9594b24c2f6f2ab849452b078c9871035
parent3625af8f0cca04681861253f68ae1de26f4ce5f0 (diff)
downloadports-7fa243eab7d765dda3c3eb02929c005b60984404.tar.gz
ports-7fa243eab7d765dda3c3eb02929c005b60984404.zip
science/py-kimpy: New port: Python interface to the KIM-API
-rw-r--r--science/Makefile1
-rw-r--r--science/py-kimpy/Makefile24
-rw-r--r--science/py-kimpy/distinfo3
-rw-r--r--science/py-kimpy/pkg-descr6
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).