summarylogtreecommitdiffstats
diff options
context:
space:
mode:
authorxantares2015-06-08 23:08:36 +0200
committerxantares2015-06-08 23:08:36 +0200
commit9f535fa25a07d8f1b86acaeecae3c43d88a9a8e3 (patch)
tree0c729a55b1c18297ba80b19118d6b3d24b37a04a
downloadaur-9f535fa25a07d8f1b86acaeecae3c43d88a9a8e3.tar.gz
Initial import
-rw-r--r--.SRCINFO19
-rw-r--r--PKGBUILD37
2 files changed, 56 insertions, 0 deletions
diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 00000000000..216c182115e
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,19 @@
+pkgbase = openmm
+ pkgdesc = Toolkit for molecular simulation using high performance GPU code
+ pkgver = 6.2
+ pkgrel = 1
+ url = https://simtk.org/home/openmm
+ arch = i686
+ arch = x86_64
+ license = MIT
+ license = LGPL
+ makedepends = cmake
+ makedepends = swig
+ depends = fftw
+ source = https://github.com/pandegroup/openmm/archive/6.2.tar.gz
+ source = https://github.com/xantares/openmm/commit/01ae387d649c959812bb3d3bc451e54746b2ab59.patch
+ md5sums = fad92d0a0e7cd1585b35777e98914b8f
+ md5sums = 21a008fabf6a8fa0611b84d888c6f84b
+
+pkgname = openmm
+
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 00000000000..326e400151e
--- /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}
+}