diff options
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 9 |
1 files changed, 5 insertions, 4 deletions
@@ -4,19 +4,19 @@ pkgname=pmemd pkgver=20 _toolsver=20 _gccver=9.3.0 -pkgrel=4 +pkgrel=5 pkgdesc="PMEMD module of AMBER software package" url="http://ambermd.org/" license=(custom) arch=(x86_64) depends=(ambertools) -makedepends=('cmake>=3.8.1' make gcc9 flex bison patch tcsh imake openmpi-gcc9 'cuda>=7.5') +makedepends=('cmake>=3.8.1' make gcc9 flex bison patch tcsh imake openmpi-gcc9 'cuda>=10.1') optdepends=('openmpi-gcc9: MPI support' 'cuda: GPU acceleration support' 'plumed: metadynamics support' 'plumed-mpi: metadynamics support with MPI' 'vmd: visualize trajectories') -options=(staticlibs !buildflags) +options=(!buildflags) # Due to licensing issues you must register and download AmberTools package from AmberMD url and put it in directory with PKGBUILD. # Moreover, you MUST purchase Amber package from AmberMD group and also place it in directory with PKGBUILD. @@ -53,7 +53,8 @@ build() { -DINSTALL_TESTS=FALSE \ -DDOWNLOAD_MINICONDA=FALSE \ -DFORCE_DISABLE_LIBS="plumed" \ - -DFORCE_INTERNAL_LIBS="arpack;xblas;netcdf;netcdf-fortran;pnetcdf;fftw;boost;mpi4py" \ + -DFORCE_INTERNAL_LIBS="arpack;xblas;netcdf;netcdf-fortran;pnetcdf;mpi4py;fftw" \ + -DFORCE_EXTERNAL_LIBS="boost" \ -Wno-dev \ 2>&1 | tee cmake.log |