svn commit: r472503 - in head/science: . py-pymatgen
Yuri Victorovich
yuri at FreeBSD.org
Fri Jun 15 23:49:37 UTC 2018
Author: yuri
Date: Fri Jun 15 23:49:36 2018
New Revision: 472503
URL: https://svnweb.freebsd.org/changeset/ports/472503
Log:
New port: science/py-pymatgen: Python Materials Genomics is a robust materials analysis code
Added:
head/science/py-pymatgen/
head/science/py-pymatgen/Makefile (contents, props changed)
head/science/py-pymatgen/distinfo (contents, props changed)
head/science/py-pymatgen/pkg-descr (contents, props changed)
Modified:
head/science/Makefile
Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile Fri Jun 15 23:25:56 2018 (r472502)
+++ head/science/Makefile Fri Jun 15 23:49:36 2018 (r472503)
@@ -181,6 +181,7 @@
SUBDIR += py-pupynere
SUBDIR += py-pyaixi
SUBDIR += py-pydicom
+ SUBDIR += py-pymatgen
SUBDIR += py-pymol
SUBDIR += py-pyosf
SUBDIR += py-pysal
Added: head/science/py-pymatgen/Makefile
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/py-pymatgen/Makefile Fri Jun 15 23:49:36 2018 (r472503)
@@ -0,0 +1,33 @@
+# $FreeBSD$
+
+PORTNAME= pymatgen
+DISTVERSION= 2018.6.11
+CATEGORIES= science python
+MASTER_SITES= CHEESESHOP
+PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER= yuri at FreeBSD.org
+COMMENT= Python Materials Genomics is a robust materials analysis code
+
+LICENSE= MIT
+LICENSE_FILE= ${WRKSRC}/LICENSE.rst
+
+BUILD_DEPENDS= ${PYNUMPY}
+RUN_DEPENDS= ${PYNUMPY} \
+ ${PYTHON_PKGNAMEPREFIX}matplotlib>=1.5:math/py-matplotlib@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}monty>=0.9.6:devel/py-monty@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}palettable>=2.1.1:misc/py-palettable@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}pandas>0:math/py-pandas@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}pydispatcher>=2.0.5:devel/py-pydispatcher@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}requests>0:www/py-requests@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}ruamel.yaml>=0.15.6:devel/py-ruamel.yaml@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}scipy>=1.0.1:science/py-scipy@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}six>0:devel/py-six@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}spglib>=1.9.9.44:science/py-spglib@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}sympy>0:math/py-sympy@${FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}tabulate>0:devel/py-tabulate@${FLAVOR}
+
+USES= python
+USE_PYTHON= distutils autoplist
+
+.include <bsd.port.mk>
Added: head/science/py-pymatgen/distinfo
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/py-pymatgen/distinfo Fri Jun 15 23:49:36 2018 (r472503)
@@ -0,0 +1,3 @@
+TIMESTAMP = 1529101902
+SHA256 (pymatgen-2018.6.11.tar.gz) = be1b2f101abf6477b5388b3112c5e4d0ff8f0f6cefb7f9d3d509a88882c515ed
+SIZE (pymatgen-2018.6.11.tar.gz) = 1740814
Added: head/science/py-pymatgen/pkg-descr
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/py-pymatgen/pkg-descr Fri Jun 15 23:49:36 2018 (r472503)
@@ -0,0 +1,14 @@
+Pymatgen (Python Materials Genomics) is a robust, open-source Python library
+for materials analysis. These are some of the main features:
+* Highly flexible classes for the representation of Element, Site, Molecule,
+ Structure objects.
+* Extensive input/output support, including support for VASP
+ (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF,
+ Gaussian, XYZ, and many other file formats.
+* Powerful analysis tools, including generation of phase diagrams, Pourbaix
+ diagrams, diffusion analyses, reactions, etc.
+* Electronic structure analyses, such as density of states and band structure.
+* Integration with the Materials Project REST API, Crystallography Open
+ Database.
+
+WWW: http://pymatgen.org/
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