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| author | James Barnett | 2015-06-18 20:51:42 -0500 |
|---|---|---|
| committer | James Barnett | 2015-06-18 20:51:42 -0500 |
| commit | 7701a3f5e3a131bc13a9515e7bf06ebd5f1a4c0a (patch) | |
| tree | 127dced1cafa443a9b7c37225a7c16650efcc57f | |
| download | aur-7701a3f5e3a131bc13a9515e7bf06ebd5f1a4c0a.tar.gz | |
initial commit
| -rw-r--r-- | .SRCINFO | 15 | ||||
| -rw-r--r-- | PKGBUILD | 16 |
2 files changed, 31 insertions, 0 deletions
diff --git a/.SRCINFO b/.SRCINFO new file mode 100644 index 000000000000..fa2f410f1e5e --- /dev/null +++ b/.SRCINFO @@ -0,0 +1,15 @@ +pkgbase = python2-alchemical-analysis + pkgdesc = An open tool implementing some recommended practices for analyzing alchemical free energy calculations + pkgver = 1.0.1 + pkgrel = 1 + url = https://github.com/MobleyLab/alchemical-analysis + arch = i686 + arch = x86_64 + license = LGPL + makedepends = git + depends = python2-pymbar + source = https://github.com/MobleyLab/alchemical-analysis/archive/v1.0.1.tar.gz + md5sums = c4a550ac1bf983d4286909ffc2e6ebd0 + +pkgname = python2-alchemical-analysis + diff --git a/PKGBUILD b/PKGBUILD new file mode 100644 index 000000000000..4367c469ec5f --- /dev/null +++ b/PKGBUILD @@ -0,0 +1,16 @@ +# Maintainer James W. Barnett <jbarnet4 at tulane dot edu> +pkgname=python2-alchemical-analysis +pkgver=1.0.1 +pkgrel=1 +pkgdesc="An open tool implementing some recommended practices for analyzing alchemical free energy calculations" +arch=('i686' 'x86_64') +url="https://github.com/MobleyLab/alchemical-analysis" +license=('LGPL') +depends=('python2' 'python2-pymbar') +source=(https://github.com/MobleyLab/alchemical-analysis/archive/v${pkgver}.tar.gz) +md5sums=('c4a550ac1bf983d4286909ffc2e6ebd0') + +package() { + cd "$srcdir/alchemical-analysis-${pkgver}" + python2 setup.py install --root=$pkgdir || return 1 +} |