From a20df57f875114ef255f28c08be99af8f0dd908c Mon Sep 17 00:00:00 2001
From: Yuri Victorovich <yuri@FreeBSD.org>
Date: Sun, 3 May 2020 20:58:00 +0000
Subject: [PATCH] New port: science/py-kliff: KIM-based Learning-Integrated
 Fitting Framework

---
 science/Makefile           |  1 +
 science/py-kliff/Makefile  | 25 +++++++++++++++++++++++++
 science/py-kliff/distinfo  |  3 +++
 science/py-kliff/pkg-descr |  5 +++++
 4 files changed, 34 insertions(+)
 create mode 100644 science/py-kliff/Makefile
 create mode 100644 science/py-kliff/distinfo
 create mode 100644 science/py-kliff/pkg-descr

diff --git a/science/Makefile b/science/Makefile
index bff5f1014ac8..5e30445ffc97 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -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
diff --git a/science/py-kliff/Makefile b/science/py-kliff/Makefile
new file mode 100644
index 000000000000..9a2a18fb1b89
--- /dev/null
+++ b/science/py-kliff/Makefile
@@ -0,0 +1,25 @@
+# $FreeBSD$
+
+PORTNAME=	kliff
+DISTVERSION=	0.1.6
+CATEGORIES=	science python
+MASTER_SITES=	CHEESESHOP
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	yuri@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>
diff --git a/science/py-kliff/distinfo b/science/py-kliff/distinfo
new file mode 100644
index 000000000000..16611f3dbd1d
--- /dev/null
+++ b/science/py-kliff/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1588538293
+SHA256 (kliff-0.1.6.tar.gz) = ed03c33203be97695e8ac80051b300476c0ed8f0774770570901bde82462072a
+SIZE (kliff-0.1.6.tar.gz) = 1940411
diff --git a/science/py-kliff/pkg-descr b/science/py-kliff/pkg-descr
new file mode 100644
index 000000000000..1c68e08db4c1
--- /dev/null
+++ b/science/py-kliff/pkg-descr
@@ -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