diff options
| -rw-r--r-- | .SRCINFO | 1 | ||||
| -rw-r--r-- | PKGBUILD | 20 |
2 files changed, 12 insertions, 9 deletions
@@ -20,6 +20,7 @@ pkgbase = pmemd optdepends = cuda: GPU acceleration support optdepends = plumed: metadynamics support optdepends = plumed-mpi: metadynamics support with MPI + optdepends = vmd: visualize trajectories options = staticlibs options = !buildflags source = local://AmberTools20.tar.bz2 @@ -14,7 +14,8 @@ makedepends=('cmake>=3.8.1' make gcc8 flex bison patch tcsh imake openmpi-gcc8 ' optdepends=('openmpi-gcc8: MPI support' 'cuda: GPU acceleration support' 'plumed: metadynamics support' - 'plumed-mpi: metadynamics support with MPI') + 'plumed-mpi: metadynamics support with MPI' + 'vmd: visualize trajectories') options=(staticlibs !buildflags) # Due to licensing issues you must register and download AmberTools package from AmberMD url and put it in directory with PKGBUILD. @@ -45,14 +46,14 @@ build() { CC=gcc-8 CXX=g++-8 FC=gfortran-8 cmake $AMBER_PREFIX/amber${pkgver}_src \ -DCMAKE_INSTALL_PREFIX=/opt/amber \ - -DCOMPILER=MANUAL \ - -DMPI=TRUE -DCUDA=TRUE \ - -DOPENMP=TRUE \ - -DINSTALL_TESTS=TRUE \ - -DDOWNLOAD_MINICONDA=FALSE \ - -DFORCE_DISABLE_LIBS="plumed" \ - -DFORCE_INTERNAL_LIBS="arpack;xblas;netcdf;netcdf-fortran;pnetcdf;fftw;boost;mpi4py" \ - 2>&1 | tee cmake.log + -DCOMPILER=MANUAL \ + -DMPI=TRUE -DCUDA=TRUE \ + -DOPENMP=TRUE \ + -DINSTALL_TESTS=FALSE \ + -DDOWNLOAD_MINICONDA=FALSE \ + -DFORCE_DISABLE_LIBS="plumed" \ + -DFORCE_INTERNAL_LIBS="arpack;xblas;netcdf;netcdf-fortran;pnetcdf;fftw;boost;mpi4py" \ + 2>&1 | tee cmake.log cd src make @@ -61,6 +62,7 @@ build() { package() { mkdir -p ${pkgdir}/opt/amber + # install stuff cd ${srcdir}/amber${pkgver}_src/build/src make DESTDIR=${pkgdir} install |