diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 371f836a36..a5861ab885 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -305,6 +305,8 @@ pkg_depends(LATBOLTZ MPI) pkg_depends(PHONON KSPACE) pkg_depends(SCAFACOS MPI) pkg_depends(DIELECTRIC KSPACE) +pkg_depends(CG-DNA MOLECULE) +pkg_depends(CG-DNA ASPHERE) # detect if we may enable OpenMP support by default set(BUILD_OMP_DEFAULT OFF) diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index cf70be0d4b..5a4327dad6 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -311,6 +311,11 @@ rigid-body integrators with improved stability. **Author:** Oliver Henrich (University of Strathclyde, Glasgow). +**Install:** + +The CG-DNA package requires that also the `MOLECULE `_ and +`ASPHERE `_ packages are installed. + **Supporting info:** * src/CG-DNA: filenames -> commands diff --git a/src/CG-DNA/Install.sh b/src/CG-DNA/Install.sh index bf74a85aef..3c65fac787 100755 --- a/src/CG-DNA/Install.sh +++ b/src/CG-DNA/Install.sh @@ -26,10 +26,25 @@ action () { fi } +# the CG-DNA package cannot be used without +# the MOLECULE and ASPHERE packages installed. + +if (test $1 = 1) then + if (test ! -e ../bond_harmonic.cpp) then + echo "Must install MOLECULE package with CG-DNA" + exit 1 + fi + if (test ! -e ../fix_nve_asphere.cpp) then + echo "Must install ASPHERE package with CG-DNA" + exit 1 + fi +fi + + # list of files with dependcies -action atom_vec_oxdna.cpp atom_vec.h -action atom_vec_oxdna.h atom_vec.h +action atom_vec_oxdna.cpp +action atom_vec_oxdna.h action bond_oxdna_fene.cpp bond_fene.h action bond_oxdna2_fene.cpp bond_fene.h action bond_oxrna2_fene.cpp bond_fene.h