git: fec524cab5d4 - main - science/py-seekpath: New port: Obtain, visualize k-vector coefficients in crystal Brillouin zone

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=fec524cab5d43fec2330b40238eb29bccb74676a

commit fec524cab5d43fec2330b40238eb29bccb74676a
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2025-01-25 01:18:43 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2025-01-25 01:42:33 +0000

    science/py-seekpath: New port: Obtain, visualize k-vector coefficients in crystal Brillouin zone
---
 science/Makefile              |  1 +
 science/py-seekpath/Makefile  | 26 ++++++++++++++++++++++++++
 science/py-seekpath/distinfo  |  3 +++
 science/py-seekpath/pkg-descr |  8 ++++++++
 4 files changed, 38 insertions(+)

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.