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

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This commit is contained in:
Yuri Victorovich 2018-10-20 18:36:24 +00:00
parent d761cbf4d5
commit 727a9693d4
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=482614
5 changed files with 42 additions and 0 deletions
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1
math/Makefile
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@ -216,6 +216,7 @@
SUBDIR += galculator
SUBDIR += gambit
SUBDIR += gap
SUBDIR += gau2grid
SUBDIR += gdcalc
SUBDIR += geg
SUBDIR += geogebra

24
math/gau2grid/Makefile Normal file
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@ -0,0 +1,24 @@
# $FreeBSD$
PORTNAME= gau2grid
DISTVERSIONPREFIX= v
DISTVERSION= 1.2.0
CATEGORIES= math python
MAINTAINER= yuri@FreeBSD.org
COMMENT= Fast computation of a gaussian and its derivative on a grid
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/LICENSE
ONLY_FOR_ARCHS= amd64
ONLY_FOR_ARCHS_REASON= BUG: ValueError: descr is not a valid dtype descriptor: '<f16' (see https://github.com/dgasmith/gau2grid/issues/25)
BUILD_DEPENDS= ${PYNUMPY}
USES= cmake:outsource python:build # C code build depends on python to generate some headers
USE_GITHUB= yes
GH_ACCOUNT= dgasmith
USE_LDCONFIG= yes
.include <bsd.port.mk>

3
math/gau2grid/distinfo Normal file
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@ -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

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math/gau2grid/pkg-descr Normal file
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@ -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

7
math/gau2grid/pkg-plist Normal file
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include/gau2grid/gau2grid.h
include/gau2grid/gau2grid_pragma.h
lib/libgg.so
share/cmake/gau2grid/gau2gridConfig.cmake
share/cmake/gau2grid/gau2gridConfigVersion.cmake
share/cmake/gau2grid/gau2gridTargets-%%CMAKE_BUILD_TYPE%%.cmake
share/cmake/gau2grid/gau2gridTargets.cmake