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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-09-01 18:17:53 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-09-01 18:17:53 +0000 |
| commit | 6eb7a59ccdec38da114bbef7c0c1db8113f4eda3 (patch) | |
| tree | 48781d6b58268805fcf15a53eb196b90314a15c7 /science/py-ase | |
| parent | ec3e56288a15bc5f9da50375ed24da93aef2b1b3 (diff) | |
| download | ports-6eb7a59ccdec38da114bbef7c0c1db8113f4eda3.tar.gz ports-6eb7a59ccdec38da114bbef7c0c1db8113f4eda3.zip | |
New port: science/py-ase: Atomic simulation environment
Notes
Notes:
svn path=/head/; revision=478712
Diffstat (limited to 'science/py-ase')
| -rw-r--r-- | science/py-ase/Makefile | 25 | ||||
| -rw-r--r-- | science/py-ase/distinfo | 3 | ||||
| -rw-r--r-- | science/py-ase/pkg-descr | 4 |
3 files changed, 32 insertions, 0 deletions
diff --git a/science/py-ase/Makefile b/science/py-ase/Makefile new file mode 100644 index 000000000000..02d77a7c86b3 --- /dev/null +++ b/science/py-ase/Makefile @@ -0,0 +1,25 @@ +# $FreeBSD$ + +PORTNAME= ase +DISTVERSION= 3.16.2 +CATEGORIES= science python +MASTER_SITES= CHEESESHOP +PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Atomic simulation environment + +LICENSE= LGPL21 +LICENSE_FILE= ${WRKSRC}/COPYING.LESSER + +RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}Flask>0:www/py-flask@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ + ${PYTHON_PKGNAMEPREFIX}scipy>0:science/py-scipy@${FLAVOR} \ + ${PYNUMPY} \ + nwchem:science/nwchem + +USES= python +USE_PYTHON= distutils concurrent autoplist +NO_ARCH= yes + +.include <bsd.port.mk> diff --git a/science/py-ase/distinfo b/science/py-ase/distinfo new file mode 100644 index 000000000000..f140fb3bcbcb --- /dev/null +++ b/science/py-ase/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1535002458 +SHA256 (ase-3.16.2.tar.gz) = 5e63e7dc18fd13dcc3cb46ab3de019375b9d62c6c3a845a99f34b6928251f4c2 +SIZE (ase-3.16.2.tar.gz) = 1498921 diff --git a/science/py-ase/pkg-descr b/science/py-ase/pkg-descr new file mode 100644 index 000000000000..f0891cd201ac --- /dev/null +++ b/science/py-ase/pkg-descr @@ -0,0 +1,4 @@ +ASE is a set of tools and Python modules for setting up, manipulating, +running, visualizing and analyzing atomistic simulations. + +WWW: https://wiki.fysik.dtu.dk/ase |