diff options
-rw-r--r-- | .SRCINFO | 4 | ||||
-rw-r--r-- | PKGBUILD | 23 | ||||
-rw-r--r-- | configure.patch | 10 |
3 files changed, 19 insertions, 18 deletions
@@ -1,7 +1,7 @@ pkgbase = vmd-src pkgdesc = Visual Molecular Dynamics pkgver = 1.9.4a57 - pkgrel = 2 + pkgrel = 3 url = http://www.ks.uiuc.edu/Research/vmd/ arch = x86_64 arch = aarch64 @@ -26,6 +26,6 @@ pkgbase = vmd-src source = local://vmd-1.9.4a57.src.tar.gz source = configure.patch sha256sums = de278d0c5d969336d89068e0806fb50aaa0cb0f546ba985d840b279357860679 - sha256sums = 51f0f26b246ab4b9cf561ae7bdb9c636fb1a8963766299e711d121df21152cbd + sha256sums = 93ef1e106141e7386113dcc64185174413e30934fba597ce2ebe44660c2d7665 pkgname = vmd-src @@ -6,26 +6,26 @@ pkgname=vmd-src _pkgname=vmd pkgver=1.9.4a57 -pkgrel=2 +pkgrel=3 pkgdesc="Visual Molecular Dynamics" url="http://www.ks.uiuc.edu/Research/vmd/" -license=('custom') -arch=('x86_64' 'aarch64') -depends=('tcsh' 'tk' 'python-numpy' 'fltk' 'netcdf' 'ocl-icd' 'libxi' 'openmpi') -makedepends=('opencl-headers') +license=(custom) +arch=(x86_64 aarch64) +depends=(tcsh tk python-numpy fltk netcdf ocl-icd libxi openmpi) +makedepends=(opencl-headers) optdepends=('openbabel: additional file formats support' 'sqlite: dmsplugin' 'ospray: accelerated ray tracing for Intel CPUs' 'optix: accelerated ray tracing for NVIDIA GPUs' 'cuda: NVIDIA CUDA GPU acceleration functions') -provides=("$_pkgname") -conflicts=("$_pkgname" "$_pkgname-bin") +provides=($_pkgname) +conflicts=($_pkgname $_pkgname-bin) # You have to download the package from the VMD url # and put it in the PKGBUILD folder. -source=("local://$_pkgname-${pkgver}.src.tar.gz" - "configure.patch") +source=(local://$_pkgname-${pkgver}.src.tar.gz + configure.patch) sha256sums=('de278d0c5d969336d89068e0806fb50aaa0cb0f546ba985d840b279357860679' - '51f0f26b246ab4b9cf561ae7bdb9c636fb1a8963766299e711d121df21152cbd') + '93ef1e106141e7386113dcc64185174413e30934fba597ce2ebe44660c2d7665') prepare() { sed -i 's/ltcl8.5/ltcl/g' plugins/Make-arch @@ -66,7 +66,7 @@ build() { make -j1 $MACHINE make distrib cd ../$_pkgname-$pkgver - ./configure $MACHINE OPENGL EGLPBUFFER FLTKOPENGL FLTK TK $ACC IMD OPENCL MPI XINERAMA XINPUT $RAY LIBPNG ZLIB NETCDF COLVARS TCL PYTHON NUMPY PTHREADS GCC + ./configure $MACHINE $ACC $RAY OPENGL EGLPBUFFER FLTKOPENGL FLTK TK IMD OPENCL MPI XINERAMA XINPUT LIBPNG ZLIB NETCDF COLVARS TCL PYTHON NUMPY PTHREADS GCC cd src make veryclean make @@ -75,6 +75,7 @@ build() { package() { cd "$srcdir/$_pkgname-$pkgver" install -Dm644 LICENSE "$pkgdir/usr/share/licenses/$pkgname/LICENSE" + cd src make install sed -i 's#set defaultvmddir=.*#set defaultvmddir=/usr/lib/vmd#' \ diff --git a/configure.patch b/configure.patch index 81faa2c7da53..b5c483b644d5 100644 --- a/configure.patch +++ b/configure.patch @@ -123,16 +123,16 @@ - $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "$vmd_library_dir/numpy/lib_$config_arch/include"; - $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/site-packages/numpy/core/include"; - $python_libs = "-lpython2.5 -lpthread"; -+ $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} || "/usr/include/python3.10"; -+ $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "/usr/lib/python3.10/config-3.10-x86_64-linux-gnu"; ++ $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} || "/usr/include/python3.11"; ++ $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "/usr/lib/python3.11/config-3.11-x86_64-linux-gnu"; +# $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} || "$vmd_library_dir/python/lib_$config_arch/include/python2.5"; +# $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/config"; + -+ $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "/usr/lib/python3.10/site-packages/numpy/core/include/numpy"; -+ $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "/usr/lib/python3.10/site-packages/numpy/core/include"; ++ $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "/usr/lib/python3.11/site-packages/numpy/core/include/numpy"; ++ $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "/usr/lib/python3.11/site-packages/numpy/core/include"; +# $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "$vmd_library_dir/numpy/lib_$config_arch/include"; +# $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/site-packages/numpy/core/include"; -+ $python_libs = "-lpython3.10 -lpthread"; ++ $python_libs = "-lpython3.11 -lpthread"; } $python_defines = "-DVMDPYTHON"; |