diff options
| -rw-r--r-- | .SRCINFO | 7 | ||||
| -rw-r--r-- | PKGBUILD | 14 |
2 files changed, 11 insertions, 10 deletions
@@ -1,6 +1,6 @@ pkgbase = openmm pkgdesc = Toolkit for molecular simulation using high performance GPU code - pkgver = 7.4.2 + pkgver = 8.0.0 pkgrel = 1 url = http://openmm.org/ arch = x86_64 @@ -12,8 +12,7 @@ pkgbase = openmm makedepends = cython depends = fftw optdepends = cuda: prrovides cuda support - source = https://github.com/pandegroup/openmm/archive/7.4.2.tar.gz - sha256sums = 2e121ad5cfcc4840861032bb1b11d4d0aea2d3ca3c59baaed73b8b0b4fd069cc + source = https://github.com/pandegroup/openmm/archive/8.0.0.tar.gz + sha256sums = dc63d7b47c8bb7b169c409cfd63d909ed0ce1ae114d37c627bf7a4231acf488e pkgname = openmm - @@ -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} |