Date: Sun, 17 Jun 2018 21:24:03 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r472636 - in head/science: . py-PyQuante Message-ID: <201806172124.w5HLO3oO047389@repo.freebsd.org>
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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@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/
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