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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-06-18 05:24:03 +0800 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-06-18 05:24:03 +0800 |
| commit | 075dd77083d9682f67957efc0d20a17412e76805 (patch) | |
| tree | 086f2652276141b35b1a606b5b777429c05e34b4 | |
| parent | 1df8579a32ae665f78078a0c423ed5bfb1418bde (diff) | |
| download | freebsd-ports-gnome-075dd77083d9682f67957efc0d20a17412e76805.tar.gz freebsd-ports-gnome-075dd77083d9682f67957efc0d20a17412e76805.tar.zst freebsd-ports-gnome-075dd77083d9682f67957efc0d20a17412e76805.zip | |
New port: science/py-PyQuante: Quantum chemistry in Python
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-PyQuante/Makefile | 20 | ||||
| -rw-r--r-- | science/py-PyQuante/distinfo | 3 | ||||
| -rw-r--r-- | science/py-PyQuante/pkg-descr | 12 |
4 files changed, 36 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 21e7a9dc5c29..679f3fa86430 100644 --- a/science/Makefile +++ b/science/Makefile @@ -163,6 +163,7 @@ SUBDIR += psychopy SUBDIR += pulseview SUBDIR += py-DendroPy + SUBDIR += py-PyQuante SUBDIR += py-MDAnalysis SUBDIR += py-MDAnalysisTests SUBDIR += py-OpenFermion diff --git a/science/py-PyQuante/Makefile b/science/py-PyQuante/Makefile new file mode 100644 index 000000000000..a49fa7eea14e --- /dev/null +++ b/science/py-PyQuante/Makefile @@ -0,0 +1,20 @@ +# $FreeBSD$ + +PORTNAME= PyQuante +DISTVERSION= 1.6.5 +CATEGORIES= science python +MASTER_SITES= SF/${PORTNAME:tl}/${PORTNAME}-${DISTVERSION:R}/${PORTNAME}-${DISTVERSION}/ +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Quantum chemistry in Python + +LICENSE= BSD2CLAUSE +LICENSE_FILE= ${WRKSRC}/LICENSE + +RUN_DEPENDS= ${PYNUMPY} + +USES= python:2.7- +USE_PYTHON= distutils autoplist + +.include <bsd.port.mk> diff --git a/science/py-PyQuante/distinfo b/science/py-PyQuante/distinfo new file mode 100644 index 000000000000..576998c357ce --- /dev/null +++ b/science/py-PyQuante/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1529269768 +SHA256 (PyQuante-1.6.5.tar.gz) = 145ac192503c7c0cf9e1b262a39a7de3a43a50e53d6884b45124ade0cfcdb7cc +SIZE (PyQuante-1.6.5.tar.gz) = 681165 diff --git a/science/py-PyQuante/pkg-descr b/science/py-PyQuante/pkg-descr new file mode 100644 index 000000000000..a56fd306a6e2 --- /dev/null +++ b/science/py-PyQuante/pkg-descr @@ -0,0 +1,12 @@ +PyQuante (Sourceforge Project Page) is an open-source suite of programs for +developing quantum chemistry methods. The program is written in the Python +programming language, but has many "rate-determining" modules also written +in C for speed. The resulting code, though not as fast as Jaguar, NWChem, +Gaussian, or MPQC, is much easier to understand and modify. The goal of this +software is not necessarily to provide a working quantum chemistry program +(although it will hopefully do that), but rather to provide a well-engineered +set of tools so that scientists can construct their own quantum chemistry +programs without going through the tedium of having to write every low-level +routine. + +WWW: http://pyquante.sourceforge.net/ |