diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-12-08 11:04:58 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-12-08 11:11:24 +0000 |
| commit | 4924d81ff4ceacbe57ee0933802f7ca1ceac4e12 (patch) | |
| tree | caf7cbac9b9c67379a3d3611dd16e96cb0a736b3 | |
| parent | e41256b1f3c9eaff8ece572f1b93e55540cc04ec (diff) | |
science/dftd3: New port: S. Grimme's dispersion correction for DFT, Hartree-Fock methods
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/dftd3/Makefile | 21 | ||||
| -rw-r--r-- | science/dftd3/distinfo | 3 | ||||
| -rw-r--r-- | science/dftd3/pkg-descr | 2 |
4 files changed, 27 insertions, 0 deletions
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. |