git: 4924d81ff4ce - main - science/dftd3: New port: S. Grimme's dispersion correction for DFT, Hartree-Fock methods

From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Thu, 08 Dec 2022 11:11:31 UTC 
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=4924d81ff4ceacbe57ee0933802f7ca1ceac4e12

commit 4924d81ff4ceacbe57ee0933802f7ca1ceac4e12
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-12-08 11:04:58 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-12-08 11:11:24 +0000

    science/dftd3: New port: S. Grimme's dispersion correction for DFT, Hartree-Fock methods
---
 science/Makefile        |  1 +
 science/dftd3/Makefile  | 21 +++++++++++++++++++++
 science/dftd3/distinfo  |  3 +++
 science/dftd3/pkg-descr |  2 ++
 4 files changed, 27 insertions(+)

diff --git a/science/Makefile b/science/Makefile
index f10f20e71e31..7e79d121dffb 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -72,6 +72,7 @@
     SUBDIR += dd_package
     SUBDIR += devisor
     SUBDIR += dftbplus
+    SUBDIR += dftd3
     SUBDIR += dftd4
     SUBDIR += dimod
     SUBDIR += dirac
diff --git a/science/dftd3/Makefile b/science/dftd3/Makefile
new file mode 100644
index 000000000000..5506e1290457
--- /dev/null
+++ b/science/dftd3/Makefile
@@ -0,0 +1,21 @@
+PORTNAME=	dftd3
+DISTVERSIONPREFIX=	v
+DISTVERSION=	3.2.0-3
+DISTVERSIONSUFFIX=	-g8e5463e
+CATEGORIES=	science # quantum-chemistry
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	S. Grimme's dispersion correction for DFT, Hartree-Fock methods
+WWW=		https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3
+
+LICENSE=	GPLv1+
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+USES=		cmake fortran
+
+USE_GITHUB=	yes
+GH_ACCOUNT=	loriab
+
+PLIST_FILES=	bin/dftd3
+
+.include <bsd.port.mk>
diff --git a/science/dftd3/distinfo b/science/dftd3/distinfo
new file mode 100644
index 000000000000..613f44bbcf9c
--- /dev/null
+++ b/science/dftd3/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1670495434
+SHA256 (loriab-dftd3-v3.2.0-3-g8e5463e_GH0.tar.gz) = 9a8ae1cf19efb20dd0ac0be59661dd37a8a45b42bf804490341ab051c0525405
+SIZE (loriab-dftd3-v3.2.0-3-g8e5463e_GH0.tar.gz) = 560751
diff --git a/science/dftd3/pkg-descr b/science/dftd3/pkg-descr
new file mode 100644
index 000000000000..428ed7f0ff8a
--- /dev/null
+++ b/science/dftd3/pkg-descr
@@ -0,0 +1,2 @@
+S. Grimme's dispersion correction for DFT, Hartree-Fock, and semi-empirical
+quantum chemical methods.