diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-06-15 23:49:36 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-06-15 23:49:36 +0000 |
| commit | e80a83df0ab3f8bd5766a30eb778855ab58b5769 (patch) | |
| tree | e3b0424fda194acec491a7c8396b2185f8402d84 /science | |
| parent | 90c2cbf7f10053994a21c3945dafde7bfe5456b8 (diff) | |
| download | ports-e80a83df0ab3f8bd5766a30eb778855ab58b5769.tar.gz ports-e80a83df0ab3f8bd5766a30eb778855ab58b5769.zip | |
New port: science/py-pymatgen: Python Materials Genomics is a robust materials analysis code
Notes
Notes:
svn path=/head/; revision=472503
Diffstat (limited to 'science')
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-pymatgen/Makefile | 33 | ||||
| -rw-r--r-- | science/py-pymatgen/distinfo | 3 | ||||
| -rw-r--r-- | science/py-pymatgen/pkg-descr | 14 |
4 files changed, 51 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index c71f260530fa..e26d02fd63f1 100644 --- a/science/Makefile +++ b/science/Makefile @@ -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 diff --git a/science/py-pymatgen/Makefile b/science/py-pymatgen/Makefile new file mode 100644 index 000000000000..3ee2b2cf0528 --- /dev/null +++ b/science/py-pymatgen/Makefile @@ -0,0 +1,33 @@ +# $FreeBSD$ + +PORTNAME= pymatgen +DISTVERSION= 2018.6.11 +CATEGORIES= science python +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@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> diff --git a/science/py-pymatgen/distinfo b/science/py-pymatgen/distinfo new file mode 100644 index 000000000000..22211c9b2be2 --- /dev/null +++ b/science/py-pymatgen/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1529101902 +SHA256 (pymatgen-2018.6.11.tar.gz) = be1b2f101abf6477b5388b3112c5e4d0ff8f0f6cefb7f9d3d509a88882c515ed +SIZE (pymatgen-2018.6.11.tar.gz) = 1740814 diff --git a/science/py-pymatgen/pkg-descr b/science/py-pymatgen/pkg-descr new file mode 100644 index 000000000000..e40803f58457 --- /dev/null +++ b/science/py-pymatgen/pkg-descr @@ -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/ |