py-pymatgen Python Materials Genomics is a robust materials analysis code

2019.2.28_1 science =0 2019.2.28Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

Port Added: 2018-06-15 23:49:49

Last Update: 2019-07-26 21:46:57

SVN Revision: 507372

Also Listed In: python

License: MIT

Description:

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/

SVNWeb : Homepage

There is no configure plist information for this port.

Dependency lines:

• py36-pymatgen>0:science/py-pymatgen

To install the port: cd /usr/ports/science/py-pymatgen/ && make install clean

To add the package: pkg install py36-pymatgen

PKGNAME: py36-pymatgen

Package flavors (<flavor>: <package>)

• py36: py36-pymatgen

distinfo:

TIMESTAMP = 1557293612 SHA256 (pymatgen-2019.2.28.tar.gz) = fe4c9b8b16d618fa531a09073d69db6ab02c0c379e672862a41163e39ac91e85 SIZE (pymatgen-2019.2.28.tar.gz) = 2039954

Dependencies

NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.

Build dependencies:

1. py36-numpy>0 : math/py-numpy@py36
2. py36-setuptools>0 : devel/py-setuptools@py36
3. python3.6 : lang/python36

Runtime dependencies:

1. py36-numpy>0 : math/py-numpy@py36
2. py36-matplotlib>=1.5 : math/py-matplotlib@py36
3. py36-monty>=0.9.6 : devel/py-monty@py36
4. py36-networkx>=2.1 : math/py-networkx@py36
5. py36-palettable>=2.1.1 : misc/py-palettable@py36
6. py36-pandas>0 : math/py-pandas@py36
7. py36-pydispatcher>=2.0.5 : devel/py-pydispatcher@py36
8. py36-requests>0 : www/py-requests@py36
9. py36-ruamel.yaml>=0.15.6 : devel/py-ruamel.yaml@py36
10. py36-scipy>=1.0.1 : science/py-scipy@py36
11. py36-six>0 : devel/py-six@py36
12. py36-spglib>=1.9.9.44 : science/py-spglib@py36
13. py36-sympy>0 : math/py-sympy@py36
14. py36-tabulate>0 : devel/py-tabulate@py36
15. py36-netCDF4>0 : science/py-netCDF4@py36
16. py36-setuptools>0 : devel/py-setuptools@py36
17. python3.6 : lang/python36

This port is required by:

for Build

1. science/py-abipy

Configuration Options

No options to configure

USES:

python:3.5+

Master Sites:

1. https://files.pythonhosted.org/packages/source/p/pymatgen/
2. https://pypi.org/packages/source/p/pymatgen/

• 2017-11-30

  Affects: */py*

  Author: mat@FreeBSD.org

  Reason: 
    Ports using Python via USES=python are now flavored.  All the py3-* ports
    have been removed and folded into their py-* master ports.
  
    People using Poudriere 3.2+ and binary packages do not have to do anything.
  
    For other people, to build the Python 3.6 version of, for example,
    databases/py-gdbm, you need to run:
  
      # make FLAVOR=py36 install
  
  

Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, everything INDEX-11 shows with a dependency on lang/gcc9 now.

PR:		238330

science/py-pymatgen: Update 2019.1.24 -> 2019.2.28

science/py-pymatgen: python-3 only

science/py-pymatgen: Update 2018.10.18 -> 2019.1.24

portscout has missed this update.

science/py-pymatgen: Update 2018.9.30 -> 2018.10.18

Reported by:	repology

Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.

PR:		231590

science/py-pymatgen: Update 2018.9.1 -> 2018.9.30

Reported by:	repology

science/py-pymatgen: Update 2018.8.10 -> 2018.9.1

Reported by:	repology

science/py-pymatgen: Update 2018.6.11 -> 2018.8.10

Reported by:	repology

Use PY_FLAVOR for dependencies.

FLAVOR is the current port's flavor, it should not be used outside of
this scope.

Sponsored by:	Absolight

science/py-pymatgen: Add USE_PYTHON=concurrent

New port: science/py-pymatgen: Python Materials Genomics is a robust materials
analysis code

14 vulnerabilities affecting 201 ports have been reported in the past 14 days

^* - modified, not new

All vulnerabilities

Last updated:
2019-09-17 23:50:39