svn commit: r533880 - in head/science: . py-kliff

[Yuri Victorovich]

Author: yuri
Date: Sun May  3 20:58:00 2020
New Revision: 533880
URL: https://svnweb.freebsd.org/changeset/ports/533880

Log:
  New port: science/py-kliff: KIM-based Learning-Integrated Fitting Framework

Added:
  head/science/py-kliff/
  head/science/py-kliff/Makefile   (contents, props changed)
  head/science/py-kliff/distinfo   (contents, props changed)
  head/science/py-kliff/pkg-descr   (contents, props changed)
Modified:
  head/science/Makefile

Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile	Sun May  3 20:56:11 2020	(r533879)
+++ head/science/Makefile	Sun May  3 20:58:00 2020	(r533880)
@@ -245,6 +245,7 @@
     SUBDIR += py-h5py
     SUBDIR += py-kim-query
     SUBDIR += py-kinematics
+    SUBDIR += py-kliff
     SUBDIR += py-lifelines
     SUBDIR += py-mdp
     SUBDIR += py-mlpy

Added: head/science/py-kliff/Makefile
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-kliff/Makefile	Sun May  3 20:58:00 2020	(r533880)
@@ -0,0 +1,25 @@
+# $FreeBSD$
+
+PORTNAME=	kliff
+DISTVERSION=	0.1.6
+CATEGORIES=	science python
+MASTER_SITES=	CHEESESHOP
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	yuri at FreeBSD.org
+COMMENT=	KIM-based Learning-Integrated Fitting Framework
+
+LICENSE=	CDDL
+
+BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR}
+RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR}
+
+USES=		compiler:c++11-lang python
+USE_PYTHON=	distutils autoplist
+
+post-install:
+	@${FIND} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} -name "*.so" | ${XARGS} ${STRIP_CMD}
+
+.include <bsd.port.mk>

Added: head/science/py-kliff/distinfo
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-kliff/distinfo	Sun May  3 20:58:00 2020	(r533880)
@@ -0,0 +1,3 @@
+TIMESTAMP = 1588538293
+SHA256 (kliff-0.1.6.tar.gz) = ed03c33203be97695e8ac80051b300476c0ed8f0774770570901bde82462072a
+SIZE (kliff-0.1.6.tar.gz) = 1940411

Added: head/science/py-kliff/pkg-descr
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-kliff/pkg-descr	Sun May  3 20:58:00 2020	(r533880)
@@ -0,0 +1,5 @@
+KLIFF is an interatomic potential fitting package that can be used to fit
+physics-motivated (PM) potentials, as well as machine learning potentials such
+as the neural network (NN) models.
+
+WWW: https://github.com/mjwen/kliff