svn commit: r478712 - in head/science: . py-ase
Yuri Victorovich
yuri at FreeBSD.org
Sat Sep 1 18:17:55 UTC 2018
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 at 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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