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authorJia Li2018-04-05 17:22:33 -0400
committerJia Li2018-04-05 17:22:33 -0400
commitff102875e3977c3ad490c16cdd310d7bde5172fe (patch)
treed9ef42b9e6c16254af6aa038b35527b86594f26e
downloadaur-ff102875e3977c3ad490c16cdd310d7bde5172fe.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 00000000000..de0059c2680
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,22 @@
+pkgbase = python-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 = python
+ depends = python-numpy
+ depends = python-scipy
+ depends = python-h5py
+ depends = xcfun
+ depends = libcint
+ depends = libxc
+ provides = python-pyscf=1.4.5.r10.g57c8912d
+ source = python-pyscf-git::git+https://github.com/sunqm/pyscf.git
+ md5sums = SKIP
+
+pkgname = python-pyscf-git
+
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 00000000000..5f53c4a1c94
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,24 @@
+# Maintainer: Jia Li <lijia1608@gmail.com>
+pkgname=python-pyscf-git
+_pkgname=python-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=('python' 'python-numpy' 'python-scipy' 'python-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 "$pkgname"
+ PYSCF_INC_DIR=/usr/lib python setup.py install --root="$pkgdir/" --optimize=1
+}