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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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