svn commit: r479756 - in head/science: . py-molmod

[Yuri Victorovich]

Author: yuri
Date: Fri Sep 14 03:10:59 2018
New Revision: 479756
URL: https://svnweb.freebsd.org/changeset/ports/479756

Log:
  New port: science/py-molmod: Collection of molecular modelling tools for python

Added:
  head/science/py-molmod/
  head/science/py-molmod/Makefile   (contents, props changed)
  head/science/py-molmod/distinfo   (contents, props changed)
  head/science/py-molmod/pkg-descr   (contents, props changed)
Modified:
  head/science/Makefile

Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile	Fri Sep 14 03:01:15 2018	(r479755)
+++ head/science/Makefile	Fri Sep 14 03:10:59 2018	(r479756)
@@ -209,6 +209,7 @@
     SUBDIR += py-mdp
     SUBDIR += py-mlpy
     SUBDIR += py-mmtf-python
+    SUBDIR += py-molmod
     SUBDIR += py-netCDF4
     SUBDIR += py-obspy
     SUBDIR += py-openpiv

Added: head/science/py-molmod/Makefile
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-molmod/Makefile	Fri Sep 14 03:10:59 2018	(r479756)
@@ -0,0 +1,28 @@
+# $FreeBSD$
+
+PORTNAME=	molmod
+DISTVERSION=	1.4.4
+CATEGORIES=	science python
+MASTER_SITES=	CHEESESHOP
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	yuri at FreeBSD.org
+COMMENT=	Collection of molecular modelling tools for python
+
+LICENSE=	GPLv3+
+LICENSE_FILE=	${WRKSRC}/LICENSE.txt
+
+BUILD_DEPENDS=	${PYNUMPY}
+RUN_DEPENDS=	${PYNUMPY} \
+		${PYTHON_PKGNAMEPREFIX}future>=0:devel/py-future@${PY_FLAVOR}
+TEST_DEPENDS=	${PYTHON_PKGNAMEPREFIX}nose>=0:devel/py-nose@${PY_FLAVOR}
+
+USES=		python shebangfix
+SHEBANG_GLOB=	*.py
+USE_PYTHON=	distutils cython cython_run autoplist
+
+do-test: # Tests fail: https://github.com/molmod/molmod/issues/27
+	@cd ${WRKSRC} && \
+		${SETENV} ${MAKE_ENV} nosetests-${PYTHON_VER} -v molmod
+
+.include <bsd.port.mk>

Added: head/science/py-molmod/distinfo
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-molmod/distinfo	Fri Sep 14 03:10:59 2018	(r479756)
@@ -0,0 +1,3 @@
+TIMESTAMP = 1536893478
+SHA256 (molmod-1.4.4.tar.gz) = ca0e461fe42fc8b7e0b481cda33aac247d86b5fb817b5076e20abc90dd577797
+SIZE (molmod-1.4.4.tar.gz) = 1692687

Added: head/science/py-molmod/pkg-descr
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-molmod/pkg-descr	Fri Sep 14 03:10:59 2018	(r479756)
@@ -0,0 +1,4 @@
+MolMod is a collection of molecular modelling tools for python. It is used by
+other software developed at the CMM, including Yaff, TAMkin and Zeobuilder.
+
+WWW: https://github.com/molmod/molmod