I am trying to compile ESPResSo 3.1.1 with BOND_CONSTRAINT feature activated in order to use rigid_bond.
#define PARTIAL_PERIODIC
#define ELECTROSTATICS
#define EXTERNAL_FORCES
#define CONSTRAINTS
#define MASS
#define EXCLUSIONS
#define BOND_CONSTRAINT
#define MODES
#define NPT
#define TABULATED
#define LENNARD_JONES
#define LENNARD_JONES_GENERIC
#define LJCOS
#define LJCOS2
#define GAY_BERNE
#define SOFT_SPHERE
#define BOND_ANGLEDIST_HARMONIC
#define MPI_CORE
#define FORCE_CORE
Although in myconfig.h file there is no ROTATION feature I am getting errors during compilation.
First, I create a build directory.
I make a copy of myconfig.h file in both source directory (espresso_3.1.1) and Build directory
I used the following command:
/PATH/ESPResSo/espresso-3.1.1/configure --with-myconfig=config_NoRot_LD.h --with-mpi=openmpi CC=mpicc
Than I type:
make
But I got the following error:
home/chava/ESPResSo/espresso-3.1.1/src/config-features.c(21): catastrophic error: #error directive: Feature BOND_CONSTRAINT requires not ROTATION
#error Feature BOND_CONSTRAINT requires not ROTATION
Can someone help me? Thanks in advance!
Note: In the build directory there is a /src/myconfig-final.h file with the same activated features that myconfig.h file