git: f3cca0975cd1 - main - science/py-kpLib: New port: Library for finding optimal Generalized Monkhorst-Pack k-points grid

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From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Sun, 17 Jul 2022 06:28:17 UTC
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=f3cca0975cd1ad2b1c64a5ccc53ea0558f3d7e36

commit f3cca0975cd1ad2b1c64a5ccc53ea0558f3d7e36
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-07-17 06:26:40 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-07-17 06:28:14 +0000

    science/py-kpLib: New port: Library for finding optimal Generalized Monkhorst-Pack k-points grid
---
 science/Makefile           |  1 +
 science/py-kpLib/Makefile  | 25 +++++++++++++++++++++++++
 science/py-kpLib/distinfo  |  3 +++
 science/py-kpLib/pkg-descr |  7 +++++++
 4 files changed, 36 insertions(+)

diff --git a/science/Makefile b/science/Makefile
index cdf4776d6074..648f773a9878 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -297,6 +297,7 @@
     SUBDIR += py-kim-query
     SUBDIR += py-kinematics
     SUBDIR += py-kliff
+    SUBDIR += py-kpLib
     SUBDIR += py-liac-arff
     SUBDIR += py-libgetar
     SUBDIR += py-libpysal
diff --git a/science/py-kpLib/Makefile b/science/py-kpLib/Makefile
new file mode 100644
index 000000000000..d3886189c513
--- /dev/null
+++ b/science/py-kpLib/Makefile
@@ -0,0 +1,25 @@
+PORTNAME=	kpLib
+DISTVERSION=	1.0.5
+CATEGORIES=	science python
+MASTER_SITES=	CHEESESHOP
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Library for finding optimal Generalized Monkhorst-Pack k-points grid
+
+LICENSE=	APACHE20
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+BUILD_DEPENDS=	pybind11>0:devel/pybind11
+RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}click>=7.1.2:devel/py-click@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pymatgen>=2021.3.9:science/py-pymatgen@${PY_FLAVOR}
+
+USES=		compiler:c++17-lang localbase python
+USE_LDCONFIG=	yes
+
+USE_PYTHON=	distutils concurrent autoplist
+
+post-install:
+	@${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/kpLib/lib${PYTHON_EXT_SUFFIX}.so
+
+.include <bsd.port.mk>
diff --git a/science/py-kpLib/distinfo b/science/py-kpLib/distinfo
new file mode 100644
index 000000000000..c75252a29ea9
--- /dev/null
+++ b/science/py-kpLib/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1658037887
+SHA256 (kpLib-1.0.5.tar.gz) = f71561a397ae780e84384ea78a7951cd2b96a843676467c671705d22809d4beb
+SIZE (kpLib-1.0.5.tar.gz) = 35075
diff --git a/science/py-kpLib/pkg-descr b/science/py-kpLib/pkg-descr
new file mode 100644
index 000000000000..85bac397b280
--- /dev/null
+++ b/science/py-kpLib/pkg-descr
@@ -0,0 +1,7 @@
+KpLib is a C++ library for finding the optimal Generalized
+Monkhorst-Pack k-points grid. It can be imported into
+electronic-structure packages as a generator of efficient
+generalized k-point grids, or be integrated into user scripts through
+the python interface.
+
+WWW: https://gitlab.com/muellergroup/kplib