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Diffstat (limited to 'PKGBUILD')
-rw-r--r-- | PKGBUILD | 73 |
1 files changed, 73 insertions, 0 deletions
diff --git a/PKGBUILD b/PKGBUILD new file mode 100644 index 000000000000..fc9c5493cfe0 --- /dev/null +++ b/PKGBUILD @@ -0,0 +1,73 @@ +# Maintainer: Anton Kudelin <kudelin at protonmail dot com> +# Contributor: Eric Berquist <eric DOT berquist AT gmail> +# Contributor: steabert <steabert@member.fsf.org> +# Contributor: Ricardo Honorato Z. + +pkgname=vmd-src +_pkgname=vmd +pkgver=1.9.3 +pkgrel=1 +pkgdesc="Visual Molecular Dynamics" +url="http://www.ks.uiuc.edu/Research/vmd/" +license=('custom') +arch=('x86_64') +depends=('tcsh' 'tk' 'python2-numpy' 'fltk' 'ospray' 'netcdf' 'ocl-icd') +makedepends=('gcc') +optdepends=('openbabel: additional file formats support' + 'sqlite: dmsplugin' + 'optix: accelerated ray tracing for NVIDIA GPUs' + 'cuda: NVIDIA CUDA GPU acceleration functions') +conflicts=("$_pkgname" "$_pkgname-bin") +# You have to download the package from the VMD url and put it in the PKGBUILD folder. +source=("local://$_pkgname-${pkgver}.src.tar.gz" + "configure.patch" + "ospray.patch" + "cuda.patch" + "mpi.patch") +sha256sums=('5bdc314dc836d620fe510ed4b6c3dbe3cf66525b61680ffec4e2563cf495f128' + 'c25475d51be75c2b9e3bcd5f8d5d3ed1fd0df992f9c8020b0346c49f6c40b275' + '09f1cf35ebd302095a68d2b5db03e1671493411aed3f839baf2b1f44dc7e0e0d' + '8880006bd97f7397d5a5592aaeeb6e80530d8c6026280c1b961e43f568e12daa' + 'e281a57831b8ff60c5a644219f0b6289d32bee239978af676474941c7d8548c0') + +prepare() { + sed -i 's/ltcl8.5/ltcl/g' plugins/Make-arch + cd $_pkgname-$pkgver + mkdir plugins + sed -i 's#:${LD_LIBRARY_PATH}/:${LD_LIBRARY_PATH}:#/opt/optix/lib64#g' bin/* + patch -p0 < ../configure.patch + patch -p0 < ../ospray.patch + patch -p0 < ../cuda.patch + + # Assuming openmpi; if not the case edit mpi.patch + patch -p0 < ../mpi.patch + export TCLINC="-I/usr/include" + export TCLLIB="-L/usr/lib" + export PLUGINDIR=$srcdir/$_pkgname-$pkgver/plugins + export VMDINSTALLBINDIR=$pkgdir/usr/bin + export VMDINSTALLLIBRARYDIR=$pkgdir/usr/lib/vmd + + # Enable CUDA if nvcc is in PATH + if [ $( echo -n $( which nvcc) | tail -c 4 ) == nvcc ] + then + export ACC=CUDA + fi +} + +build() { + cd $srcdir/plugins + make -j1 LINUXAMD64 world + make distrib + cd ../$_pkgname-$pkgver + ./configure LINUXAMD64 OPENGL EGLPBUFFER FLTKOPENGL FLTK TK $ACC IMD OPENCL MPI XINERAMA XINPUT LIBOSPRAY LIBPNG NETCDF COLVARS TCL PYTHON PTHREADS GCC + cd src + make veryclean + make +} + +package() { + cd $srcdir/$_pkgname-$pkgver + install -D -m644 LICENSE $pkgdir/usr/share/licenses/$pkgname/LICENSE + cd src; make install + sed -i 's#set defaultvmddir=.*#set defaultvmddir=/usr/lib/vmd#' $pkgdir/usr/bin/vmd +} |