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New port: science/py-ase: Atomic simulation environment

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This commit is contained in:
Yuri Victorovich 2018-09-01 18:17:53 +00:00
parent ec3e56288a
commit 6eb7a59ccd
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=478712
4 changed files with 33 additions and 0 deletions
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1
science/Makefile
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@ -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

25
science/py-ase/Makefile Normal file
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@ -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>

3
science/py-ase/distinfo Normal file
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@ -0,0 +1,3 @@
TIMESTAMP = 1535002458
SHA256 (ase-3.16.2.tar.gz) = 5e63e7dc18fd13dcc3cb46ab3de019375b9d62c6c3a845a99f34b6928251f4c2
SIZE (ase-3.16.2.tar.gz) = 1498921

4
science/py-ase/pkg-descr Normal file
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@ -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