initial commit

2 files changed, 43 insertions, 0 deletions

diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 000000000000..f59e15cc0521
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,21 @@
+pkgbase = phonopy
+	pkgdesc = Phonopy is an open source package for phonon calculations at harmonic and quasi-harmonic levels
+	pkgver = 2.2.0
+	pkgrel = 1
+	url = https://atztogo.github.io/phonopy
+	arch = any
+	license = BSD
+	makedepends = python-setuptools
+	makedepends = python
+	depends = python-numpy
+	depends = python-scipy
+	depends = python-h5py
+	depends = python-pyaml
+	depends = python-matplotlib
+	optdepends = python-spglib
+	optdepends = openmpi
+	source = https://github.com/atztogo/phonopy/archive/v2.2.0.tar.gz
+	sha512sums = 74d6058aea179a84dcad9f98e09de69569a1cf62c1163b2142481f85d143a273b14459800485ebac627dcd1d1a71a3151dc69d9067271ed9aec3def8b37cb712
+
+pkgname = phonopy
+
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..8eab170e948e
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,22 @@
+pkgname=('phonopy')
+pkgver=2.2.0
+pkgrel=1
+pkgdesc="Phonopy is an open source package for phonon calculations at harmonic and quasi-harmonic levels"
+arch=('any')
+url="https://atztogo.github.io/phonopy"
+license=('BSD')
+depends=("python-numpy" "python-scipy" "python-h5py" "python-pyaml" "python-matplotlib")
+optdepends=("python-spglib" "openmpi")
+makedepends=('python-setuptools' 'python')
+source=("https://github.com/atztogo/phonopy/archive/v$pkgver.tar.gz")
+sha512sums=('74d6058aea179a84dcad9f98e09de69569a1cf62c1163b2142481f85d143a273b14459800485ebac627dcd1d1a71a3151dc69d9067271ed9aec3def8b37cb712')
+
+
+
+package() {
+  cd "$srcdir"/phonopy-$pkgver
+  # uncomment for openmpi build
+  sed -i "s/with_openmp = False/with_openmp = True/" setup.py
+  python setup.py install --root "$pkgdir" --optimize=1
+  install -Dm644 LICENSE "$pkgdir"/usr/share/licenses/$pkgname/LICENSE
+}