diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-07-17 06:26:40 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-07-17 06:28:14 +0000 |
| commit | f3cca0975cd1ad2b1c64a5ccc53ea0558f3d7e36 (patch) | |
| tree | 0dd7f78a4125f7663628b2ecc0bcaab7b7964fbe | |
| parent | 4a9dc80423516032797f52d313a786892395f251 (diff) | |
science/py-kpLib: New port: Library for finding optimal Generalized Monkhorst-Pack k-points grid
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-kpLib/Makefile | 25 | ||||
| -rw-r--r-- | science/py-kpLib/distinfo | 3 | ||||
| -rw-r--r-- | science/py-kpLib/pkg-descr | 7 |
4 files changed, 36 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index cdf4776d6074..648f773a9878 100644 --- a/science/Makefile +++ b/science/Makefile @@ -297,6 +297,7 @@ SUBDIR += py-kim-query SUBDIR += py-kinematics SUBDIR += py-kliff + SUBDIR += py-kpLib SUBDIR += py-liac-arff SUBDIR += py-libgetar SUBDIR += py-libpysal diff --git a/science/py-kpLib/Makefile b/science/py-kpLib/Makefile new file mode 100644 index 000000000000..d3886189c513 --- /dev/null +++ b/science/py-kpLib/Makefile @@ -0,0 +1,25 @@ +PORTNAME= kpLib +DISTVERSION= 1.0.5 +CATEGORIES= science python +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Library for finding optimal Generalized Monkhorst-Pack k-points grid + +LICENSE= APACHE20 +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= pybind11>0:devel/pybind11 +RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}click>=7.1.2:devel/py-click@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pymatgen>=2021.3.9:science/py-pymatgen@${PY_FLAVOR} + +USES= compiler:c++17-lang localbase python +USE_LDCONFIG= yes + +USE_PYTHON= distutils concurrent autoplist + +post-install: + @${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/kpLib/lib${PYTHON_EXT_SUFFIX}.so + +.include <bsd.port.mk> diff --git a/science/py-kpLib/distinfo b/science/py-kpLib/distinfo new file mode 100644 index 000000000000..c75252a29ea9 --- /dev/null +++ b/science/py-kpLib/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1658037887 +SHA256 (kpLib-1.0.5.tar.gz) = f71561a397ae780e84384ea78a7951cd2b96a843676467c671705d22809d4beb +SIZE (kpLib-1.0.5.tar.gz) = 35075 diff --git a/science/py-kpLib/pkg-descr b/science/py-kpLib/pkg-descr new file mode 100644 index 000000000000..85bac397b280 --- /dev/null +++ b/science/py-kpLib/pkg-descr @@ -0,0 +1,7 @@ +KpLib is a C++ library for finding the optimal Generalized +Monkhorst-Pack k-points grid. It can be imported into +electronic-structure packages as a generator of efficient +generalized k-point grids, or be integrated into user scripts through +the python interface. + +WWW: https://gitlab.com/muellergroup/kplib |