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

2019.10.16 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: 2020-01-23 10:44:41

SVN Revision: 523918

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:

• py37-pymatgen>0:science/py-pymatgen

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

To add the package: pkg install py37-pymatgen

PKGNAME: py37-pymatgen

Package flavors (<flavor>: <package>)

• py37: py37-pymatgen

distinfo:

TIMESTAMP = 1571522633 SHA256 (pymatgen-2019.10.16.tar.gz) = a8e8b169001737cdf16bb89b26c391963ba2bead54ea510530a52586e2072234 SIZE (pymatgen-2019.10.16.tar.gz) = 2486612

Dependencies

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

Build dependencies:

1. py37-numpy>0 : math/py-numpy@py37
2. py37-setuptools>0 : devel/py-setuptools@py37
3. python3.7 : lang/python37

Runtime dependencies:

1. py37-numpy>0 : math/py-numpy@py37
2. py37-matplotlib>=1.5 : math/py-matplotlib@py37
3. py37-monty>=3.0.2 : devel/py-monty@py37
4. py37-networkx>=2.2 : math/py-networkx@py37
5. py37-palettable>=3.1.1 : misc/py-palettable@py37
6. py37-pandas>0 : math/py-pandas@py37
7. py37-pydispatcher>=2.0.5 : devel/py-pydispatcher@py37
8. py37-requests>0 : www/py-requests@py37
9. py37-ruamel.yaml>=0.15.6 : devel/py-ruamel.yaml@py37
10. py37-scipy>=1.0.1 : science/py-scipy@py37
11. py37-six>0 : devel/py-six@py37
12. py37-spglib>=1.9.9.44 : science/py-spglib@py37
13. py37-sympy>0 : math/py-sympy@py37
14. py37-tabulate>0 : devel/py-tabulate@py37
15. py37-netCDF4>0 : science/py-netCDF4@py37
16. py37-setuptools>0 : devel/py-setuptools@py37
17. python3.7 : lang/python37

This port is required by:

for Build

1. science/py-abipy

Configuration Options

No options to configure

USES:

compiler:c++11-lang 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
  
  

science/py-pymatgen: fix build on GCC architectures

C++11 compiler is necessary:cc1plus:
error: unrecognized command line option "-std=c++11"

-march=native is specified in CXXFLAGS and may break runtime on some x86:
cc1plus: error: unrecognized command line option "-march=native"

Approved by:	portmgr (ports compliance)

science/py-pymatgen: Update 2019.2.28 -> 2019.10.16

Reported by:	portscout

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

12 vulnerabilities affecting 52 ports have been reported in the past 14 days

^* - modified, not new

All vulnerabilities

Last updated:
2020-02-25 03:07:51