initial commit

1 files changed, 27 insertions, 0 deletions

diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..307d980631be
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,27 @@
+pkgname=python-openmm
+_pkgname=openmm
+pkgver=7.0.1
+pkgrel=1
+pkgdesc="Python bindings for openmm"
+arch=('i686' 'x86_64')
+url="https://simtk.org/home/openmm"
+license=('MIT' 'LGPL')
+depends=('fftw')
+makedepends=('cmake' 'swig')
+depends=('openmm')
+source=("https://github.com/pandegroup/openmm/archive/${pkgver}.tar.gz")
+md5sums=('f2ace25db6755eb91039149a1b8031b9')
+
+prepare() {
+  mkdir -p build
+  cd build
+  cmake ../${_pkgname}-${pkgver} \
+    -DCMAKE_BUILD_TYPE=Release \
+    -DCMAKE_INSTALL_PREFIX=/usr
+}
+
+package() {
+  cd build
+  sed -i 's:setup.py install:setup.py install --root=$DESTDIR:g' wrappers/python/pysetupinstall.cmake
+  make DESTDIR=${pkgdir} PythonInstall
+}