diff options
-rw-r--r-- | .SRCINFO | 4 | ||||
-rw-r--r-- | PKGBUILD | 6 | ||||
-rw-r--r-- | configure.patch | 67 |
3 files changed, 61 insertions, 16 deletions
@@ -1,7 +1,7 @@ pkgbase = vmd-src pkgdesc = Visual Molecular Dynamics pkgver = 1.9.4a43 - pkgrel = 1 + pkgrel = 2 url = http://www.ks.uiuc.edu/Research/vmd/ arch = x86_64 license = custom @@ -25,7 +25,7 @@ pkgbase = vmd-src source = configure.patch source = mpi.patch sha256sums = 84323b2c34db8ce5739372dd6e225ef1fa1dc5c4b82d3810d55923a653b1bdc0 - sha256sums = a0f4a14355aaa00c4b80b4c1115ea7731b7a5a1d65d5c0df6ed7f13665fecf75 + sha256sums = a7d905ecc3fdba7ea14e1c1774919c1c0e3058fdd4a2fd896781be7c7e3c5df8 sha256sums = e281a57831b8ff60c5a644219f0b6289d32bee239978af676474941c7d8548c0 pkgname = vmd-src @@ -6,7 +6,7 @@ pkgname=vmd-src _pkgname=vmd pkgver=1.9.4a43 -pkgrel=1 +pkgrel=2 pkgdesc="Visual Molecular Dynamics" url="http://www.ks.uiuc.edu/Research/vmd/" license=('custom') @@ -25,7 +25,7 @@ source=("local://$_pkgname-${pkgver}.src.tar.gz" "configure.patch" "mpi.patch") sha256sums=('84323b2c34db8ce5739372dd6e225ef1fa1dc5c4b82d3810d55923a653b1bdc0' - 'a0f4a14355aaa00c4b80b4c1115ea7731b7a5a1d65d5c0df6ed7f13665fecf75' + 'a7d905ecc3fdba7ea14e1c1774919c1c0e3058fdd4a2fd896781be7c7e3c5df8' 'e281a57831b8ff60c5a644219f0b6289d32bee239978af676474941c7d8548c0') prepare() { @@ -52,7 +52,7 @@ prepare() { build() { cd "$srcdir/plugins" - make -j1 LINUXAMD64 world + make -j1 LINUXAMD64 make distrib cd ../$_pkgname-$pkgver ./configure LINUXAMD64 OPENGL EGLPBUFFER FLTKOPENGL FLTK TK $ACC IMD OPENCL MPI XINERAMA XINPUT LIBOSPRAY LIBPNG ZLIB NETCDF COLVARS TCL PYTHON PTHREADS GCC diff --git a/configure.patch b/configure.patch index 7f927d353a76..645a01ed3878 100644 --- a/configure.patch +++ b/configure.patch @@ -1,15 +1,21 @@ --- configure 2020-01-23 14:40:20.000000000 +0300 +++ configure 2020-01-23 14:56:53.679636518 +0300 -@@ -483,7 +483,7 @@ +@@ -493,11 +493,10 @@ $arch_cc = "cc"; $arch_ccpp = "CC"; -$arch_nvcc = "/usr/local/cuda-10.2/bin/nvcc"; +$arch_nvcc = "nvcc"; $arch_nvccflags = "-lineinfo --ptxas-options=-v " . - "-gencode arch=compute_30,code=compute_30 " . - "-gencode arch=compute_30,code=sm_35 " . -@@ -767,8 +767,8 @@ +- "-gencode arch=compute_30,code=compute_30 " . +- "-gencode arch=compute_30,code=sm_35 " . +- "-gencode arch=compute_30,code=sm_37 " . ++ "-gencode arch=compute_35,code=sm_35 " . ++ "-gencode arch=compute_35,code=sm_37 " . + "-gencode arch=compute_50,code=compute_50 " . + "-gencode arch=compute_50,code=sm_50 " . + "-gencode arch=compute_60,code=compute_60 " . +@@ -777,8 +776,8 @@ if ($config_tk) { $tcl_include .= " -I$stock_tk_include_dir"; } $tcl_library = "-L$stock_tcl_library_dir"; if ($config_tk) { $tcl_library .= " -L$stock_tk_library_dir"; } @@ -20,7 +26,7 @@ @tcl_cc = (); @tcl_cu = (); -@@ -895,13 +895,7 @@ +@@ -906,13 +905,7 @@ $system_dir = ""; $system_include = "-I."; $system_library = ""; @@ -35,7 +41,7 @@ @system_cc = (); @system_cu = (); @system_ccpp = (); -@@ -931,7 +925,7 @@ +@@ -942,7 +935,7 @@ # This option enables the use of CUDA GPU acceleration functions. ####################### $cuda_defines = "-DVMDCUDA -DMSMPOT_CUDA"; @@ -44,7 +50,7 @@ $cuda_include = ""; $cuda_library = ""; $cuda_libs = "-Wl,-rpath -Wl,\$\$ORIGIN/ -lcudart_static -lrt"; -@@ -1145,7 +1145,7 @@ +@@ -1151,7 +1144,7 @@ # $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-5.0.1-linux64"; # $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-5.1.0-linux64"; # $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-6.0.0-linux64"; @@ -53,7 +59,7 @@ # $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-7.0.0-linux64"; # NCSA Blue Waters -@@ -1211,7 +1211,7 @@ +@@ -1217,7 +1210,7 @@ $libospray_dir = "/usr/local/ospray-1.8.5.x86_64.linux"; $libospray_include = "-I$libospray_dir/include -I$libospray_dir/ospray/include "; $libospray_library = "-L$libospray_dir/lib "; @@ -62,7 +68,7 @@ } -@@ -1459,20 +1453,20 @@ +@@ -1591,20 +1584,20 @@ ################### # location of Python library and include file. # If left blank, standard system directories will be searched. @@ -89,7 +95,7 @@ @python_h = ('PythonTextInterp.h', 'VMDTkinterMenu.h', 'py_commands.h', -@@ -2368,9 +2362,9 @@ +@@ -2499,9 +2492,9 @@ # for compiling with g++: $arch_cc = "gcc"; $arch_ccpp = "g++"; @@ -101,7 +107,7 @@ # so far only STATIC version tested if ($config_static) { -@@ -2382,7 +2376,7 @@ +@@ -2513,7 +2506,7 @@ if ($config_cuda) { $arch_nvccflags .= " --machine 64 -O3 $cuda_include"; @@ -110,3 +116,42 @@ } $arch_lex = "flex"; # has problems with vendor lex +@@ -2551,7 +2544,7 @@ + + $arch_nvcc = "/usr/local/cuda/bin/nvcc"; + $arch_nvccflags = "--ptxas-options=-v " . +- "-gencode arch=compute_30,code=compute_30 " . ++ "-gencode arch=compute_35,code=compute_35 " . + "-gencode arch=compute_70,code=compute_70 " . + "--ftz=true "; + $cuda_library = "-L/usr/local/cuda/lib64"; +@@ -2575,11 +2568,7 @@ + + $arch_nvcc = "/usr/local/cuda-5.5/bin/nvcc"; + $arch_nvccflags = "--ptxas-options=-v " . +- "-gencode arch=compute_20,code=sm_20 " . +- "-gencode arch=compute_30,code=sm_30 " . + "-gencode arch=compute_35,code=sm_35 " . +- "-gencode arch=compute_20,code=compute_20 " . +- "-gencode arch=compute_30,code=compute_30 " . + "--ftz=true "; + $cuda_library = "-L/usr/local/cuda/lib"; + $arch_cc = "cc"; +@@ -2913,7 +2902,7 @@ + + # Only generate code for SM 7.0 on Summit + $arch_nvccflags = "--ptxas-options=-v " . +- "-gencode arch=compute_30,code=compute_30 " . ++ "-gencode arch=compute_35,code=compute_35 " . + "-gencode arch=compute_70,code=sm_70 " . + "--ftz=true "; + $arch_nvccflags .= " --machine 64 -O3 $cuda_include"; +@@ -3541,7 +3530,7 @@ + + .cu.ptx: + \$(ECHO) "Compiling " \$< " --> " \$*.ptx " ..."; \\ +- \$(NVCC) \$(DEFINES) --use_fast_math $liboptix_include -gencode arch=compute_30,code=compute_30 -ptx \$< $arch_coptout$vmd_arch_dir/\$\@ ++ \$(NVCC) \$(DEFINES) --use_fast_math $liboptix_include -gencode arch=compute_35,code=compute_35 -ptx \$< $arch_coptout$vmd_arch_dir/\$\@ + + .y.o: + |