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authorJia Li2018-04-05 17:17:48 -0400
committerJia Li2018-04-05 17:17:48 -0400
commitd31485c4779451f760fef230366a11ec5070a7d9 (patch)
treeba9c9912ff5642557d969c630f17aa251e1f39e6
downloadaur-d31485c4779451f760fef230366a11ec5070a7d9.tar.gz
Init repo
-rw-r--r--.SRCINFO22
-rw-r--r--PKGBUILD24
2 files changed, 46 insertions, 0 deletions
diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 000000000000..42a8abdae363
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,22 @@
+pkgbase = python2-pyscf-git
+ pkgdesc = Python-based Simulations of Chemistry Framework
+ pkgver = 1.4.5.r10.g57c8912d
+ pkgrel = 1
+ url = http://sunqm.github.io/pyscf
+ arch = i686
+ arch = x86_64
+ license = BSD
+ makedepends = cmake
+ depends = python2
+ depends = python2-numpy
+ depends = python2-scipy
+ depends = python2-h5py
+ depends = xcfun
+ depends = libcint
+ depends = libxc
+ provides = python2-pyscf=1.4.5.r10.g57c8912d
+ source = python2-pyscf-git::git+https://github.com/sunqm/pyscf.git
+ md5sums = SKIP
+
+pkgname = python2-pyscf-git
+
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..8e15958252ee
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,24 @@
+# Maintainer: Jia Li <lijia1608@gmail.com>
+pkgname=python2-pyscf-git
+_pkgname=python2-pyscf
+pkgver=1.4.5.r10.g57c8912d
+pkgrel=1
+pkgdesc="Python-based Simulations of Chemistry Framework"
+arch=(i686 x86_64)
+url="http://sunqm.github.io/pyscf"
+license=('BSD')
+depends=('python2' 'python2-numpy' 'python2-scipy' 'python2-h5py' 'xcfun' 'libcint' 'libxc')
+makedepends=('cmake')
+provides=($_pkgname=$pkgver)
+source=("$pkgname::git+https://github.com/sunqm/pyscf.git")
+md5sums=('SKIP')
+
+pkgver() {
+ cd "$pkgname"
+ git describe --long --tags | sed 's/^v//;s/\([^-]*-g\)/r\1/;s/-/./g'
+}
+
+package() {
+ cd "$pkgname"
+ PYSCF_INC_DIR=/usr/lib python2 setup.py install --root="$pkgdir/" --optimize=1
+}