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

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This commit is contained in:
Yuri Victorovich 2018-09-14 03:10:59 +00:00
parent dd1f4ca305
commit 7914b6d861
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=479756
4 changed files with 36 additions and 0 deletions
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1
science/Makefile
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@ -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

28
science/py-molmod/Makefile Normal file
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@ -0,0 +1,28 @@
# $FreeBSD$
PORTNAME= molmod
DISTVERSION= 1.4.4
CATEGORIES= science python
MASTER_SITES= CHEESESHOP
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@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>

3
science/py-molmod/distinfo Normal file
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@ -0,0 +1,3 @@
TIMESTAMP = 1536893478
SHA256 (molmod-1.4.4.tar.gz) = ca0e461fe42fc8b7e0b481cda33aac247d86b5fb817b5076e20abc90dd577797
SIZE (molmod-1.4.4.tar.gz) = 1692687

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