diff options
| author | Dan Maftei | 2018-02-03 17:51:49 +0200 |
|---|---|---|
| committer | Dan Maftei | 2018-02-03 17:51:49 +0200 |
| commit | 77206ba5509c75cffee5bf7f456895523971aceb (patch) | |
| tree | afc6ee333cf741bdd1e1eafc23c177c475263f36 | |
| download | aur-77206ba5509c75cffee5bf7f456895523971aceb.tar.gz | |
Initial commit
| -rw-r--r-- | .SRCINFO | 18 | ||||
| -rw-r--r-- | PKGBUILD | 24 |
2 files changed, 42 insertions, 0 deletions
diff --git a/.SRCINFO b/.SRCINFO new file mode 100644 index 000000000000..bcb54da4a323 --- /dev/null +++ b/.SRCINFO @@ -0,0 +1,18 @@ +pkgbase = python-pyscf + pkgdesc = Python module for quantum chemistry + pkgver = 1.4.2 + pkgrel = 1 + url = https://github.com/sunqm/pyscf + arch = x86_64 + license = BSD + makedepends = cmake + depends = python + depends = python-numpy + depends = python-scipy + depends = python-h5py + provides = python-pyscf + source = https://github.com/sunqm/pyscf/archive/v1.4.2.tar.gz + md5sums = 1e75068dd0d050dcfae4a7316b0851e3 + +pkgname = python-pyscf + diff --git a/PKGBUILD b/PKGBUILD new file mode 100644 index 000000000000..9d902eee68d3 --- /dev/null +++ b/PKGBUILD @@ -0,0 +1,24 @@ +# Maintainer: Dan Maftei <dan.maftei@chem.uaic.ro> +pkgname='python-pyscf' +pkgver=1.4.2 +pkgrel=1 +pkgdesc="Python module for quantum chemistry" +provides=('python-pyscf') +arch=('x86_64') +url="https://github.com/sunqm/pyscf" +source=("https://github.com/sunqm/pyscf/archive/v${pkgver}.tar.gz") +md5sums=('1e75068dd0d050dcfae4a7316b0851e3') +license=('BSD') +depends=('python' 'python-numpy' 'python-scipy' 'python-h5py') +makedepends=('cmake') + +build() { + cd ${srcdir}/pyscf-${pkgver}/pyscf/lib + mkdir build && cd build && cmake .. && make +} + +package() { + cd ${srcdir}/pyscf-${pkgver} + python setup.py install --root="$pkgdir" --optimize=1 +} + |