diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2025-01-25 01:18:43 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2025-01-25 01:42:33 +0000 |
| commit | fec524cab5d43fec2330b40238eb29bccb74676a (patch) | |
| tree | fd8d5a4713936f2a94e26b2d4f8f535389e5a605 | |
| parent | 71258eb43b4ecbb71723746a2131207d5aff40bb (diff) | |
science/py-seekpath: New port: Obtain, visualize k-vector coefficients in crystal Brillouin zone
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-seekpath/Makefile | 26 | ||||
| -rw-r--r-- | science/py-seekpath/distinfo | 3 | ||||
| -rw-r--r-- | science/py-seekpath/pkg-descr | 8 |
4 files changed, 38 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index da29a39c2615..922ae5eb1da1 100644 --- a/science/Makefile +++ b/science/Makefile @@ -430,6 +430,7 @@ SUBDIR += py-scipy SUBDIR += py-scoria SUBDIR += py-sdf + SUBDIR += py-seekpath SUBDIR += py-segregation SUBDIR += py-segyio SUBDIR += py-signac diff --git a/science/py-seekpath/Makefile b/science/py-seekpath/Makefile new file mode 100644 index 000000000000..c5e76eec4f79 --- /dev/null +++ b/science/py-seekpath/Makefile @@ -0,0 +1,26 @@ +PORTNAME= seekpath +DISTVERSION= 2.1.0 +CATEGORIES= science # chemistry +MASTER_SITES= PYPI +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Obtain, visualize k-vector coefficients in crystal Brillouin zone +WWW= https://github.com/giovannipizzi/seekpath + +LICENSE= MIT +LICENSE_FILE= ${WRKSRC}/LICENSE.txt + +RUN_DEPENDS= ${PYNUMPY} \ + ${PYTHON_PKGNAMEPREFIX}spglib>=1.15.1:science/py-spglib@${PY_FLAVOR} + +USES= python +USE_PYTHON= distutils autoplist pytest + +NO_ARCH= yes + +# tests as of 2.1.0: +# Results (3.57s): +# 76 passed + +.include <bsd.port.mk> diff --git a/science/py-seekpath/distinfo b/science/py-seekpath/distinfo new file mode 100644 index 000000000000..1281d6f67bec --- /dev/null +++ b/science/py-seekpath/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1737763331 +SHA256 (seekpath-2.1.0.tar.gz) = 31cec579628262e6d4a4c3693fefa70d6ccae1ceeef7c9d10ea3cd48988452c4 +SIZE (seekpath-2.1.0.tar.gz) = 62257 diff --git a/science/py-seekpath/pkg-descr b/science/py-seekpath/pkg-descr new file mode 100644 index 000000000000..7dbacc4a6a66 --- /dev/null +++ b/science/py-seekpath/pkg-descr @@ -0,0 +1,8 @@ +SeeK-path is a python module to obtain band paths in the Brillouin zone +of crystal structures. + +The definition of k-point labels follows crystallographic convention, as defined +and discussed in the HPKOT paper. Moreover, the Bravais lattice is detected +properly using the spacegroup symmetry. Also, the suggested band path provided +in the HPKOT paper is returned. Systems without time-reversal and +inversion-symmetry are also properly taken into account. |