svn commit: r472505 - in head/science: . py-abipy

[Yuri Victorovich]

Author: yuri
Date: Sat Jun 16 00:37:35 2018
New Revision: 472505
URL: https://svnweb.freebsd.org/changeset/ports/472505

Log:
  New port: science/py-abipy: Library for analyzing the results produced by ABINIT

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

Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile	Sat Jun 16 00:19:07 2018	(r472504)
+++ head/science/Makefile	Sat Jun 16 00:37:35 2018	(r472505)
@@ -165,6 +165,7 @@
     SUBDIR += py-MDAnalysis
     SUBDIR += py-MDAnalysisTests
     SUBDIR += py-OpenFermion
+    SUBDIR += py-abipy
     SUBDIR += py-cdo
     SUBDIR += py-coards
     SUBDIR += py-dlib

Added: head/science/py-abipy/Makefile
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-abipy/Makefile	Sat Jun 16 00:37:35 2018	(r472505)
@@ -0,0 +1,36 @@
+# $FreeBSD$
+
+PORTNAME=	abipy
+DISTVERSION=	0.5.0
+CATEGORIES=	science python
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	yuri at FreeBSD.org
+COMMENT=	Library for analyzing the results produced by ABINIT
+
+LICENSE=	GPLv2
+
+BUILD_DEPENDS=	${PYNUMPY} \
+		${PYTHON_PKGNAMEPREFIX}apscheduler>=2.1.0:devel/py-apscheduler@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}html2text>0:textproc/py-html2text@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}netCDF4>0:science/py-netCDF4@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}prettytable>0:devel/py-prettytable@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pydispatcher>=2.0.5:devel/py-pydispatcher@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}pymatgen>=2018.6.11:science/py-pymatgen@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}seaborn>0:math/py-seaborn@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}six>0:devel/py-six@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}spglib>0:science/py-spglib@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}tabulate>0:devel/py-tabulate@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}tqdm>0:misc/py-tqdm@${FLAVOR} \
+		${PYTHON_PKGNAMEPREFIX}yaml>=3.11:devel/py-yaml@${FLAVOR}
+
+USES=		python shebangfix
+USE_GITHUB=	yes
+GH_ACCOUNT=	abinit
+SHEBANG_GLOB=	*.py
+USE_PYTHON=	distutils concurrent autoplist
+
+.include <bsd.port.mk>

Added: head/science/py-abipy/distinfo
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-abipy/distinfo	Sat Jun 16 00:37:35 2018	(r472505)
@@ -0,0 +1,3 @@
+TIMESTAMP = 1529082784
+SHA256 (abinit-abipy-0.5.0_GH0.tar.gz) = 4566f1330e484cb7a552f41a9ca73720d80c408361c5df31e8deec934ff7f17a
+SIZE (abinit-abipy-0.5.0_GH0.tar.gz) = 15845254

Added: head/science/py-abipy/pkg-descr
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/py-abipy/pkg-descr	Sat Jun 16 00:37:35 2018	(r472505)
@@ -0,0 +1,9 @@
+AbiPy is a Python library to analyze the results produced by ABINIT, an
+open-source program for the ab-initio calculations of the physical properties
+of materials within Density Functional Theory and Many-Body perturbation theory.
+AbiPy also provides tools to generate input files and workflows to automate
+ab-initio calculations and typical convergence studies. AbiPy is interfaced with
+Pymatgen allowing users to benefit from the different tools and python objects
+available in the pymatgen ecosystem.
+
+WWW: https://pythonhosted.org/abipy/