Date: Sat, 1 Sep 2018 18:17:54 +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: r478712 - in head/science: . py-ase Message-ID: <201809011817.w81IHsu0098825@repo.freebsd.org>
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Author: yuri Date: Sat Sep 1 18:17:53 2018 New Revision: 478712 URL: https://svnweb.freebsd.org/changeset/ports/478712 Log: New port: science/py-ase: Atomic simulation environment Added: head/science/py-ase/ head/science/py-ase/Makefile (contents, props changed) head/science/py-ase/distinfo (contents, props changed) head/science/py-ase/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Sat Sep 1 17:05:47 2018 (r478711) +++ head/science/Makefile Sat Sep 1 18:17:53 2018 (r478712) @@ -186,6 +186,7 @@ SUBDIR += py-ScientificPython SUBDIR += py-SimpleSpectral SUBDIR += py-abipy + SUBDIR += py-ase SUBDIR += py-cdo SUBDIR += py-coards SUBDIR += py-dlib Added: head/science/py-ase/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-ase/Makefile Sat Sep 1 18:17:53 2018 (r478712) @@ -0,0 +1,25 @@ +# $FreeBSD$ + +PORTNAME= ase +DISTVERSION= 3.16.2 +CATEGORIES= science python +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Atomic simulation environment + +LICENSE= LGPL21 +LICENSE_FILE= ${WRKSRC}/COPYING.LESSER + +RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}Flask>0:www/py-flask@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${FLAVOR} \ + ${PYNUMPY} \ + nwchem:science/nwchem + +USES= python +USE_PYTHON= distutils concurrent autoplist +NO_ARCH= yes + +.include <bsd.port.mk> Added: head/science/py-ase/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-ase/distinfo Sat Sep 1 18:17:53 2018 (r478712) @@ -0,0 +1,3 @@ +TIMESTAMP = 1535002458 +SHA256 (ase-3.16.2.tar.gz) = 5e63e7dc18fd13dcc3cb46ab3de019375b9d62c6c3a845a99f34b6928251f4c2 +SIZE (ase-3.16.2.tar.gz) = 1498921 Added: head/science/py-ase/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/py-ase/pkg-descr Sat Sep 1 18:17:53 2018 (r478712) @@ -0,0 +1,4 @@ +ASE is a set of tools and Python modules for setting up, manipulating, +running, visualizing and analyzing atomistic simulations. + +WWW: https://wiki.fysik.dtu.dk/ase
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