1 files changed, 37 insertions, 0 deletions
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..326e400151e4
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,37 @@
+pkgname=openmm
+pkgver=6.2
+pkgrel=1
+pkgdesc="Toolkit for molecular simulation using high performance GPU code"
+arch=('i686' 'x86_64')
+url="https://simtk.org/home/openmm"
+license=('MIT' 'LGPL')
+depends=('fftw')
+makedepends=('cmake' 'swig')
+source=("https://github.com/pandegroup/openmm/archive/${pkgver}.tar.gz"
+         https://github.com/xantares/openmm/commit/01ae387d649c959812bb3d3bc451e54746b2ab59.patch)
+md5sums=('fad92d0a0e7cd1585b35777e98914b8f'
+         '21a008fabf6a8fa0611b84d888c6f84b')
+
+prepare() {
+  cd "${srcdir}"/openmm-${pkgver}
+  patch -p1 -i "${srcdir}"/01ae387d649c959812bb3d3bc451e54746b2ab59.patch
+  sed -i "s|sys.argv\[0\]|os.path.basename(sys.argv\[0\])|g" wrappers/python/src/swig_doxygen/swigInputBuilder.py 
+}
+
+build() {
+  cd "${srcdir}"/openmm-${pkgver}
+  mkdir -p build && pushd build
+  cmake \
+    -DCMAKE_BUILD_TYPE=Release \
+    -DCMAKE_INSTALL_PREFIX=/usr \
+    ..
+  make
+}
+
+package() {
+  cd "${srcdir}"/openmm-${pkgver}/build
+  make DESTDIR="${pkgdir}" install
+  install -d "${pkgdir}"/usr/share/licenses/${pkgname}
+  mv "${pkgdir}"/usr/licenses/*.txt "${pkgdir}"/usr/share/licenses/${pkgname}
+  rm -rf "${pkgdir}"/usr/{bin,docs,examples,licenses}
+}