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D13119.diff

Index: head/science/Makefile
===================================================================
--- head/science/Makefile
+++ head/science/Makefile
@@ -171,6 +171,7 @@
SUBDIR += py-scikit-sparse
SUBDIR += py-scimath
SUBDIR += py-scipy
+ SUBDIR += py-scoria
SUBDIR += py-tensorflow
SUBDIR += py-ws2300
SUBDIR += pybrain
Index: head/science/py-scoria/Makefile
===================================================================
--- head/science/py-scoria/Makefile
+++ head/science/py-scoria/Makefile
@@ -0,0 +1,21 @@
+# $FreeBSD$
+
+PORTNAME= scoria
+DISTVERSION= 1.0.3
+CATEGORIES= science python
+MASTER_SITES= CHEESESHOP
+PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER= yuri@FreeBSD.org
+COMMENT= Lightweight molecule manipulation codebase
+
+LICENSE= APACHE20
+
+RUN_DEPENDS= ${PYNUMPY} \
+ ${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy
+
+USES= python
+USE_PYTHON= autoplist distutils
+NO_ARCH= yes
+
+.include <bsd.port.mk>
Index: head/science/py-scoria/distinfo
===================================================================
--- head/science/py-scoria/distinfo
+++ head/science/py-scoria/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1510818178
+SHA256 (scoria-1.0.3.tar.gz) = 27ec909d8a9289175bc968d5cff81a84e5ade759625005160b5ad750abbdda3a
+SIZE (scoria-1.0.3.tar.gz) = 9149900
Index: head/science/py-scoria/pkg-descr
===================================================================
--- head/science/py-scoria/pkg-descr
+++ head/science/py-scoria/pkg-descr
@@ -0,0 +1,4 @@
+The scoria library is a lightweight python code base designed for
+importing, manipulating, and exporting molecular models.
+
+WWW: https://git.durrantlab.com/jdurrant/scoria

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