New port: math/py-gau2grid: Fast computation of a gaussian and its derivative on a grid

math/Makefile

@@ -687,6 +687,7 @@
     SUBDIR += py-fiat
     SUBDIR += py-fpconst
     SUBDIR += py-gato
+    SUBDIR += py-gau2grid
     SUBDIR += py-gimmik
     SUBDIR += py-gmpy
     SUBDIR += py-gmpy2

math/py-gau2grid/Makefile

@@ -0,0 +1,28 @@
+# $FreeBSD$
+
+PORTNAME=	gau2grid
+DISTVERSIONPREFIX=	v
+DISTVERSION=	1.2.0
+CATEGORIES=	math python
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Fast computation of a gaussian and its derivative on a grid
+
+LICENSE=	BSD3CLAUSE
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+BUILD_DEPENDS=	${PYNUMPY} \
+		cmake:devel/cmake
+RUN_DEPENDS=	${PYNUMPY}
+TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR}
+
+USES=		python
+USE_GITHUB=	yes
+GH_ACCOUNT=	dgasmith
+USE_PYTHON=	distutils autoplist
+
+do-test:
+	@cd ${WRKSRC} && ${PYTHON_CMD} -m pytest
+
+.include <bsd.port.mk>

math/py-gau2grid/distinfo

@@ -0,0 +1,3 @@
+TIMESTAMP = 1538885352
+SHA256 (dgasmith-gau2grid-v1.2.0_GH0.tar.gz) = 5c0312256c794d17c806bafa4a755489d21d3985e44a4429e865b51e67666b9c
+SIZE (dgasmith-gau2grid-v1.2.0_GH0.tar.gz) = 124928

math/py-gau2grid/pkg-descr

@@ -0,0 +1,7 @@
+gau2grid is a python-generated C library for vectorized computation of grid to
+gaussian collocation matrices
+
+The core of gau2grid is generating the collocation matrices between a real space
+grid and a gaussian basis set expanded to a given angular momenta.
+
+WWW: https://github.com/dgasmith/gau2grid