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-rw-r--r--PKGBUILD14
1 files changed, 8 insertions, 6 deletions
diff --git a/PKGBUILD b/PKGBUILD
index ff28b4d53d5b..21e6f787c73d 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,5 +1,5 @@
pkgname=openmm
-pkgver=7.4.2
+pkgver=8.0.0
pkgrel=1
pkgdesc="Toolkit for molecular simulation using high performance GPU code"
arch=('x86_64')
@@ -9,11 +9,11 @@ depends=('fftw')
optdepends=('cuda: prrovides cuda support')
makedepends=('cmake' 'swig' 'doxygen' 'cython')
source=("https://github.com/pandegroup/openmm/archive/${pkgver}.tar.gz")
-sha256sums=('2e121ad5cfcc4840861032bb1b11d4d0aea2d3ca3c59baaed73b8b0b4fd069cc')
+sha256sums=('dc63d7b47c8bb7b169c409cfd63d909ed0ce1ae114d37c627bf7a4231acf488e')
-export CC=gcc-9
-export CXX=g++-9
-export FC=gfortran-9
+#export CC=gcc-10
+#export CXX=g++-10
+#export FC=gfortran-10
build() {
cd "${srcdir}"
@@ -29,7 +29,7 @@ build() {
check () {
msg2 "Testing openmm"
cd "${srcdir}"/build
-# make test
+ #make test
}
@@ -40,6 +40,8 @@ package() {
install -d "${pkgdir}"/usr/share/licenses/${pkgname}
msg2 "Installing openmm python bindings"
+ # Fix to install python wrapper
+ sed -i 's:ENV{OPENMM_LIB_PATH} ":ENV{OPENMM_LIB_PATH} "$ENV{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}