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authorHector Martinez-Seara2020-09-17 13:47:26 +0200
committerHector Martinez-Seara2020-09-17 13:47:26 +0200
commitb713832b3c2859972910d2239551e4b11b47f9eb (patch)
treec702f43c3e216c91a676ecd1f85c5cc49c44aa48
parentfaf975a77917c22c90a9301f9fee9de17448818b (diff)
downloadaur-b713832b3c2859972910d2239551e4b11b47f9eb.tar.gz
Updated to 7.4.2
-rw-r--r--.SRCINFO9
-rw-r--r--PKGBUILD19
2 files changed, 13 insertions, 15 deletions
diff --git a/.SRCINFO b/.SRCINFO
index accab29da3a..ef1de5318ff 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,18 +1,19 @@
pkgbase = openmm
pkgdesc = Toolkit for molecular simulation using high performance GPU code
- pkgver = 7.3.1
+ pkgver = 7.4.2
pkgrel = 1
url = http://openmm.org/
- arch = i686
arch = x86_64
license = MIT
license = LGPL
makedepends = cmake
makedepends = swig
makedepends = doxygen
+ makedepends = cython
depends = fftw
- source = https://github.com/pandegroup/openmm/archive/7.3.1.tar.gz
- sha1sums = 3e2d18d033dbe8bb52867ac1232afb6788bff346
+ optdepends = cuda: prrovides cuda support
+ source = https://github.com/pandegroup/openmm/archive/7.4.2.tar.gz
+ sha256sums = 2e121ad5cfcc4840861032bb1b11d4d0aea2d3ca3c59baaed73b8b0b4fd069cc
pkgname = openmm
diff --git a/PKGBUILD b/PKGBUILD
index 6101bda956e..ff28b4d53d5 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,20 +1,19 @@
pkgname=openmm
-pkgver=7.3.1
+pkgver=7.4.2
pkgrel=1
pkgdesc="Toolkit for molecular simulation using high performance GPU code"
-arch=('i686' 'x86_64')
+arch=('x86_64')
url="http://openmm.org/"
license=('MIT' 'LGPL')
depends=('fftw')
-makedepends=('cmake' 'swig' 'doxygen')
+optdepends=('cuda: prrovides cuda support')
+makedepends=('cmake' 'swig' 'doxygen' 'cython')
source=("https://github.com/pandegroup/openmm/archive/${pkgver}.tar.gz")
-sha1sums=('3e2d18d033dbe8bb52867ac1232afb6788bff346')
+sha256sums=('2e121ad5cfcc4840861032bb1b11d4d0aea2d3ca3c59baaed73b8b0b4fd069cc')
-#prepare() {
-# cd "${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
-#}
+export CC=gcc-9
+export CXX=g++-9
+export FC=gfortran-9
build() {
cd "${srcdir}"
@@ -41,8 +40,6 @@ package() {
install -d "${pkgdir}"/usr/share/licenses/${pkgname}
msg2 "Installing openmm python bindings"
- # Fix to install python wrapper
- #sed -i 's:setup.py install:setup.py install --root=$DESTDIR:g' wrappers/python/pysetupinstall.cmake
make DESTDIR="${pkgdir}" PythonInstall
mv "${pkgdir}"/usr/licenses/*.txt "${pkgdir}"/usr/share/licenses/${pkgname}
rm -rf "${pkgdir}"/usr/{bin,docs,examples,licenses}