git: 6db35e2e57bd - main - science/py-dftd4: New port: Python API of the DFT-D4 project

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=6db35e2e57bdeb361f5898c296c25991fd5021a7

commit 6db35e2e57bdeb361f5898c296c25991fd5021a7
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2023-08-03 07:00:47 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2023-08-03 07:02:07 +0000

    science/py-dftd4: New port: Python API of the DFT-D4 project
---
 science/Makefile           |  1 +
 science/py-dftd4/Makefile  | 27 +++++++++++++++++++++++++++
 science/py-dftd4/distinfo  |  3 +++
 science/py-dftd4/pkg-descr |  4 ++++
 4 files changed, 35 insertions(+)

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.