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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2023-08-03 07:00:47 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2023-08-03 07:02:07 +0000 |
| commit | 6db35e2e57bdeb361f5898c296c25991fd5021a7 (patch) | |
| tree | 7af0a4b0c5df328bec6e784a752065053258122f | |
| parent | 05a9d8c83979f8457715c6e498b877624d5825bc (diff) | |
| download | ports-6db35e2e57bdeb361f5898c296c25991fd5021a7.tar.gz ports-6db35e2e57bdeb361f5898c296c25991fd5021a7.zip | |
science/py-dftd4: New port: Python API of the DFT-D4 project
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-dftd4/Makefile | 27 | ||||
| -rw-r--r-- | science/py-dftd4/distinfo | 3 | ||||
| -rw-r--r-- | science/py-dftd4/pkg-descr | 4 |
4 files changed, 35 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 0a3c26bb4dd5..7694032d6482 100644 --- a/science/Makefile +++ b/science/Makefile @@ -314,6 +314,7 @@ SUBDIR += py-cirq-rigetti SUBDIR += py-coards SUBDIR += py-dftbplus + SUBDIR += py-dftd4 SUBDIR += py-dimod SUBDIR += py-dipy SUBDIR += py-dlib diff --git a/science/py-dftd4/Makefile b/science/py-dftd4/Makefile new file mode 100644 index 000000000000..6f6a6e65e03d --- /dev/null +++ b/science/py-dftd4/Makefile @@ -0,0 +1,27 @@ +PORTNAME= dftd4 +DISTVERSION= 3.5.0 +CATEGORIES= science python +MASTER_SITES= PYPI +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Python API of the DFT-D4 project +WWW= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4 + +LICENSE= GPLv3 +LICENSE_FILE= ${WRKSRC}/COPYING + +BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}meson-python>0:devel/meson-python@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR} +LIB_DEPENDS= libdftd4.so:science/dftd4 +RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}cffi>0:devel/py-cffi@${PY_FLAVOR} \ + ${PYNUMPY} + +USES= pkgconfig python +USE_PYTHON= pep517 autoplist + +post-install: + @${STRIP_CMD} ${STAGEDIR}${PYTHON_SITELIBDIR}/dftd4/_libdftd4${PYTHON_EXT_SUFFIX}.so + +.include <bsd.port.mk> diff --git a/science/py-dftd4/distinfo b/science/py-dftd4/distinfo new file mode 100644 index 000000000000..ac76ad4f6c70 --- /dev/null +++ b/science/py-dftd4/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1691044768 +SHA256 (dftd4-3.5.0.tar.gz) = 4f4cd5c611da558756095b34675cb038192baaae44fd7537e22676742f2f79dd +SIZE (dftd4-3.5.0.tar.gz) = 495370 diff --git a/science/py-dftd4/pkg-descr b/science/py-dftd4/pkg-descr new file mode 100644 index 000000000000..834ce786d6db --- /dev/null +++ b/science/py-dftd4/pkg-descr @@ -0,0 +1,4 @@ +py-dftd4 is a python binding for dftd4 (D4). + +D4 is a generally applicable atomic-charge dependent london dispersion +correction calculator. |