svn commit: r472636 - in head/science: . py-PyQuante

[Yuri Victorovich]

Author: yuri
Date: Sun Jun 17 21:24:03 2018
New Revision: 472636
URL: https://svnweb.freebsd.org/changeset/ports/472636

Log:
  New port: science/py-PyQuante: Quantum chemistry in Python

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

Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile	Sun Jun 17 20:44:13 2018	(r472635)
+++ head/science/Makefile	Sun Jun 17 21:24:03 2018	(r472636)
@@ -163,6 +163,7 @@
     SUBDIR += psychopy
     SUBDIR += pulseview
     SUBDIR += py-DendroPy
+    SUBDIR += py-PyQuante
     SUBDIR += py-MDAnalysis
     SUBDIR += py-MDAnalysisTests
     SUBDIR += py-OpenFermion

Added: head/science/py-PyQuante/Makefile
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-PyQuante/Makefile	Sun Jun 17 21:24:03 2018	(r472636)
@@ -0,0 +1,20 @@
+# $FreeBSD$
+
+PORTNAME=	PyQuante
+DISTVERSION=	1.6.5
+CATEGORIES=	science python
+MASTER_SITES=	SF/${PORTNAME:tl}/${PORTNAME}-${DISTVERSION:R}/${PORTNAME}-${DISTVERSION}/
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	yuri at FreeBSD.org
+COMMENT=	Quantum chemistry in Python
+
+LICENSE=	BSD2CLAUSE
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+RUN_DEPENDS=	${PYNUMPY}
+
+USES=		python:2.7-
+USE_PYTHON=	distutils autoplist
+
+.include <bsd.port.mk>

Added: head/science/py-PyQuante/distinfo
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-PyQuante/distinfo	Sun Jun 17 21:24:03 2018	(r472636)
@@ -0,0 +1,3 @@
+TIMESTAMP = 1529269768
+SHA256 (PyQuante-1.6.5.tar.gz) = 145ac192503c7c0cf9e1b262a39a7de3a43a50e53d6884b45124ade0cfcdb7cc
+SIZE (PyQuante-1.6.5.tar.gz) = 681165

Added: head/science/py-PyQuante/pkg-descr
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-PyQuante/pkg-descr	Sun Jun 17 21:24:03 2018	(r472636)
@@ -0,0 +1,12 @@
+PyQuante (Sourceforge Project Page) is an open-source suite of programs for
+developing quantum chemistry methods. The program is written in the Python
+programming language, but has many "rate-determining" modules also written
+in C for speed. The resulting code, though not as fast as Jaguar, NWChem,
+Gaussian, or MPQC, is much easier to understand and modify. The goal of this
+software is not necessarily to provide a working quantum chemistry program
+(although it will hopefully do that), but rather to provide a well-engineered
+set of tools so that scientists can construct their own quantum chemistry
+programs without going through the tedium of having to write every low-level
+routine.
+
+WWW: http://pyquante.sourceforge.net/