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| author | Viktor Drobot | 2020-05-26 13:31:10 +0300 |
|---|---|---|
| committer | Viktor Drobot | 2020-05-26 13:31:10 +0300 |
| commit | e00600c2864c3865bded87d81c5891c352d03545 (patch) | |
| tree | 07bb793ee287eb0fa51572567b185aed30b1aebc /PKGBUILD | |
| parent | a815ac55b40fa5786f23f4b4e1af3c29121c7707 (diff) | |
| download | aur-e00600c2864c3865bded87d81c5891c352d03545.tar.gz | |
Fix PKGBUILD
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 20 |
1 files changed, 11 insertions, 9 deletions
@@ -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 |