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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2020-05-04 04:58:00 +0800 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2020-05-04 04:58:00 +0800 |
| commit | a20df57f875114ef255f28c08be99af8f0dd908c (patch) | |
| tree | 2e7ecc4d899d8872a535c1bc9a18614cb32e1e9f /science/py-kliff | |
| parent | 053b0a869ea0a7b313a771e5afb1fd13ee2340b0 (diff) | |
| download | freebsd-ports-gnome-a20df57f875114ef255f28c08be99af8f0dd908c.tar.gz freebsd-ports-gnome-a20df57f875114ef255f28c08be99af8f0dd908c.tar.zst freebsd-ports-gnome-a20df57f875114ef255f28c08be99af8f0dd908c.zip | |
New port: science/py-kliff: KIM-based Learning-Integrated Fitting Framework
Diffstat (limited to 'science/py-kliff')
| -rw-r--r-- | science/py-kliff/Makefile | 25 | ||||
| -rw-r--r-- | science/py-kliff/distinfo | 3 | ||||
| -rw-r--r-- | science/py-kliff/pkg-descr | 5 |
3 files changed, 33 insertions, 0 deletions
diff --git a/science/py-kliff/Makefile b/science/py-kliff/Makefile new file mode 100644 index 000000000000..9a2a18fb1b89 --- /dev/null +++ b/science/py-kliff/Makefile @@ -0,0 +1,25 @@ +# $FreeBSD$ + +PORTNAME= kliff +DISTVERSION= 0.1.6 +CATEGORIES= science python +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= KIM-based Learning-Integrated Fitting Framework + +LICENSE= CDDL + +BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR} +RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}pytest>0:devel/py-pytest@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${PY_FLAVOR} + +USES= compiler:c++11-lang python +USE_PYTHON= distutils autoplist + +post-install: + @${FIND} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} -name "*.so" | ${XARGS} ${STRIP_CMD} + +.include <bsd.port.mk> diff --git a/science/py-kliff/distinfo b/science/py-kliff/distinfo new file mode 100644 index 000000000000..16611f3dbd1d --- /dev/null +++ b/science/py-kliff/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1588538293 +SHA256 (kliff-0.1.6.tar.gz) = ed03c33203be97695e8ac80051b300476c0ed8f0774770570901bde82462072a +SIZE (kliff-0.1.6.tar.gz) = 1940411 diff --git a/science/py-kliff/pkg-descr b/science/py-kliff/pkg-descr new file mode 100644 index 000000000000..1c68e08db4c1 --- /dev/null +++ b/science/py-kliff/pkg-descr @@ -0,0 +1,5 @@ +KLIFF is an interatomic potential fitting package that can be used to fit +physics-motivated (PM) potentials, as well as machine learning potentials such +as the neural network (NN) models. + +WWW: https://github.com/mjwen/kliff |