New port: science/py-chainer-chemistry: Library for deep learning in biology and chemistry

svn path=/head/; revision=508406

science/Makefile

@@ -233,6 +233,7 @@
     SUBDIR += py-avogadrolibs
     SUBDIR += py-cdo
     SUBDIR += py-chainer
+    SUBDIR += py-chainer-chemistry
     SUBDIR += py-chempy
     SUBDIR += py-coards
     SUBDIR += py-dlib

science/py-chainer-chemistry/Makefile

@@ -0,0 +1,28 @@
+# $FreeBSD$
+
+PORTNAME=	chainer-chemistry
+DISTVERSION=	0.5.0
+CATEGORIES=	science biology
+MASTER_SITES=	CHEESESHOP
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Library for deep learning in biology and chemistry
+
+LICENSE=	MIT
+
+RUN_DEPENDS=	${PYNUMPY} \
+		${PYTHON_PKGNAMEPREFIX}chainer>0:science/py-chainer@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}joblib>0:devel/py-joblib@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}scikit-learn>0:science/py-scikit-learn@${PY_FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}tqdm>0:misc/py-tqdm@${PY_FLAVOR}
+
+USES=		python
+USE_PYTHON=	distutils autoplist
+
+NO_ARCH=	yes
+
+.include <bsd.port.mk>

science/py-chainer-chemistry/distinfo

@@ -0,0 +1,3 @@
+TIMESTAMP = 1565289694
+SHA256 (chainer-chemistry-0.5.0.tar.gz) = 12a2c19d4846907cdd2e51eeb65ba21d7012e759c7fed3ddb0ee89f2d239a4f5
+SIZE (chainer-chemistry-0.5.0.tar.gz) = 77660

science/py-chainer-chemistry/pkg-descr

@@ -0,0 +1,6 @@
+Chainer Chemistry is a deep learning framework (based on Chainer) with
+applications in Biology and Chemistry. It supports various state-of-the-art
+models (especially GCNN - Graph Convolutional Neural Network) for chemical
+property prediction.
+
+WWW: https://github.com/pfnet-research/chainer-chemistry