forked from lijiext/lammps
Merge pull request #2407 from akohlmey/collected-small-fixes
Collected small changes and bugfixes for the next patch release
This commit is contained in:
commit
bf4773c3f7
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@ -628,10 +628,10 @@ if(BUILD_TOOLS)
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target_link_libraries(chain.x PRIVATE ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
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target_link_libraries(chain.x PRIVATE ${CMAKE_Fortran_IMPLICIT_LINK_LIBRARIES})
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install(TARGETS chain.x DESTINATION ${CMAKE_INSTALL_BINDIR})
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install(TARGETS chain.x DESTINATION ${CMAKE_INSTALL_BINDIR})
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else()
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else()
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message(WARNING "No suitable Fortran compiler found, skipping building 'chain.x'")
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message(WARNING "No suitable Fortran compiler found, skipping build of 'chain.x'")
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endif()
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endif()
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else()
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else()
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message(WARNING "CMake build doesn't support fortran, skipping building 'chain.x'")
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message(WARNING "CMake build doesn't support fortran, skipping build of 'chain.x'")
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endif()
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endif()
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enable_language(C)
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enable_language(C)
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@ -2,9 +2,9 @@
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# an existing package selection without losing any other settings
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# an existing package selection without losing any other settings
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set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
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set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
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GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MISC MESSAGE MOLECULE
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GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MISC MESSAGE MLIAP
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MPIIO MSCG OPT PERI POEMS PYTHON QEQ REPLICA RIGID SHOCK SNAP SPIN
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MOLECULE MPIIO MSCG OPT PERI POEMS PYTHON QEQ REPLICA RIGID SHOCK
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SRD VORONOI
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SNAP SPIN SRD VORONOI
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USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK
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USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK
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USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
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USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
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USER-H5MD USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESODPD
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USER-H5MD USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESODPD
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@ -4,9 +4,9 @@
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# with just a working C++ compiler and an MPI library.
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# with just a working C++ compiler and an MPI library.
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set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
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set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU
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GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MISC MESSAGE MOLECULE
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GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MISC MESSAGE MLIAP
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MPIIO MSCG OPT PERI POEMS PYTHON QEQ REPLICA RIGID SHOCK SNAP SPIN
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MOLECULE MPIIO MSCG OPT PERI POEMS PYTHON QEQ REPLICA RIGID SHOCK
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SRD VORONOI
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SNAP SPIN SRD VORONOI
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USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK
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USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK
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USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
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USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP
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USER-H5MD USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESODPD
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USER-H5MD USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESODPD
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@ -498,9 +498,16 @@ regular LAMMPS commands:
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help (or ?) print a brief help message
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help (or ?) print a brief help message
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history display the current command history list
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history display the current command history list
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clear_history wipe out the current command history list
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clear_history wipe out the current command history list
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pwd print current working directory
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cd <directory> change current working directory (same as pwd if no directory)
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\|<command> execute <command> as a shell command and return to the command prompt
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\|<command> execute <command> as a shell command and return to the command prompt
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exit exit the LAMMPS shell cleanly (unlike the "quit" command)
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exit exit the LAMMPS shell cleanly (unlike the "quit" command)
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Please note that some known shell operations are implemented in the
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LAMMPS :doc:`shell command <shell>` in a platform neutral fashion,
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while using the '\|' character will always pass the following text
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to the operating system's shell command.
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Compilation
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Compilation
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===========
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===========
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@ -140,12 +140,12 @@ clarity, you must enclose the entire expression in quotes.
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An expression is built out of numbers (which start with a digit or
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An expression is built out of numbers (which start with a digit or
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period or minus sign) or strings (which start with a letter and can
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period or minus sign) or strings (which start with a letter and can
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contain alphanumeric characters or underscores):
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contain alphanumeric characters, underscores, or forward slashes):
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.. parsed-literal::
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.. parsed-literal::
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0.2, 100, 1.0e20, -15.4, etc
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0.2, 100, 1.0e20, -15.4, ...
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InP, myString, a123, ab_23_cd, etc
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InP, myString, a123, ab_23_cd, lj/cut, ...
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and Boolean operators:
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and Boolean operators:
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@ -229,7 +229,7 @@ void FixNEBSpin::init()
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if (atom->nmax > maxlocal) reallocate();
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if (atom->nmax > maxlocal) reallocate();
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if (MULTI_PROC && counts == nullptr) {
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if (cmode == MULTI_PROC && counts == nullptr) {
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memory->create(xsendall,ntotal,3,"neb:xsendall");
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memory->create(xsendall,ntotal,3,"neb:xsendall");
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memory->create(xrecvall,ntotal,3,"neb:xrecvall");
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memory->create(xrecvall,ntotal,3,"neb:xrecvall");
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memory->create(fsendall,ntotal,3,"neb:fsendall");
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memory->create(fsendall,ntotal,3,"neb:fsendall");
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@ -172,7 +172,7 @@ void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr)
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}
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}
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catch(LAMMPSException &e) {
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catch(LAMMPSException &e) {
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fmt::print(stderr, "LAMMPS Exception: {}", e.message);
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fmt::print(stderr, "LAMMPS Exception: {}", e.message);
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*ptr = nullptr;
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if (ptr) *ptr = nullptr;
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}
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}
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#else
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#else
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lmp = new LAMMPS(argc, argv, comm);
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lmp = new LAMMPS(argc, argv, comm);
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@ -1270,10 +1270,8 @@ to then decide how to cast the (void*) pointer and access the data.
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* \return integer constant encoding the data type of the property
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* \return integer constant encoding the data type of the property
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* or -1 if not found. */
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* or -1 if not found. */
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int lammps_extract_global_datatype(void *handle, const char *name)
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int lammps_extract_global_datatype(void *, const char *name)
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{
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{
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LAMMPS *lmp = (LAMMPS *) handle;
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if (strcmp(name,"units") == 0) return LAMMPS_STRING;
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if (strcmp(name,"units") == 0) return LAMMPS_STRING;
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if (strcmp(name,"dt") == 0) return LAMMPS_DOUBLE;
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if (strcmp(name,"dt") == 0) return LAMMPS_DOUBLE;
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if (strcmp(name,"ntimestep") == 0) return LAMMPS_BIGINT;
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if (strcmp(name,"ntimestep") == 0) return LAMMPS_BIGINT;
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@ -2963,7 +2961,7 @@ void lammps_gather_concat(void *ptr, char *name, int type, int count, void *data
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BEGIN_CAPTURE
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BEGIN_CAPTURE
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{
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{
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int i,j,offset,fcid,ltype;
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int i,offset,fcid,ltype;
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// error if tags are not defined or not consecutive
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// error if tags are not defined or not consecutive
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int flag = 0;
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int flag = 0;
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@ -3221,8 +3219,6 @@ void lammps_gather_subset(void *ptr, char *name,
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return;
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return;
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}
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}
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int natoms = static_cast<int> (lmp->atom->natoms);
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void *vptr = lmp->atom->extract(name);
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void *vptr = lmp->atom->extract(name);
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if (vptr==nullptr && strstr(name,"f_") == name) { // fix
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if (vptr==nullptr && strstr(name,"f_") == name) { // fix
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@ -249,7 +249,6 @@ double Timer::get_timeout_remain()
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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static const char *timer_style[] = { "off", "loop", "normal", "full" };
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static const char *timer_style[] = { "off", "loop", "normal", "full" };
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static const char *timer_mode[] = { "nosync", "(dummy)", "sync" };
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static const char *timer_mode[] = { "nosync", "(dummy)", "sync" };
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static const char timer_fmt[] = "New timer settings: style=%s mode=%s timeout=%s\n";
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void Timer::modify_params(int narg, char **arg)
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void Timer::modify_params(int narg, char **arg)
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{
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{
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@ -271,15 +270,15 @@ void Timer::modify_params(int narg, char **arg)
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++iarg;
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++iarg;
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if (iarg < narg) {
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if (iarg < narg) {
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_timeout = utils::timespec2seconds(arg[iarg]);
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_timeout = utils::timespec2seconds(arg[iarg]);
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} else error->all(FLERR,"Illegal timers command");
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} else error->all(FLERR,"Illegal timer command");
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} else if (strcmp(arg[iarg],"every") == 0) {
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} else if (strcmp(arg[iarg],"every") == 0) {
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++iarg;
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++iarg;
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if (iarg < narg) {
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if (iarg < narg) {
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_checkfreq = utils::inumeric(FLERR,arg[iarg],false,lmp);
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_checkfreq = utils::inumeric(FLERR,arg[iarg],false,lmp);
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if (_checkfreq <= 0)
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if (_checkfreq <= 0)
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error->all(FLERR,"Illegal timers command");
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error->all(FLERR,"Illegal timer command");
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} else error->all(FLERR,"Illegal timers command");
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} else error->all(FLERR,"Illegal timer command");
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} else error->all(FLERR,"Illegal timers command");
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} else error->all(FLERR,"Illegal timer command");
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++iarg;
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++iarg;
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}
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}
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@ -295,9 +294,8 @@ void Timer::modify_params(int narg, char **arg)
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strftime(timebuf,32,"%H:%M:%S",tm);
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strftime(timebuf,32,"%H:%M:%S",tm);
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}
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}
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if (screen)
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utils::logmesg(lmp,fmt::format("New timer settings: style={} mode={} "
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fprintf(screen,timer_fmt,timer_style[_level],timer_mode[_sync],timebuf);
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"timeout={}\n",timer_style[_level],
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if (logfile)
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timer_mode[_sync],timebuf));
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fprintf(logfile,timer_fmt,timer_style[_level],timer_mode[_sync],timebuf);
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}
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}
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}
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}
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@ -4902,7 +4902,7 @@ double Variable::evaluate_boolean(char *str)
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// set I to end of string
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// set I to end of string
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int istart = i++;
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int istart = i++;
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while (isalnum(str[i]) || str[i] == '_') i++;
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while (isalnum(str[i]) || (str[i] == '_') || (str[i] == '/')) i++;
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int n = i - istart + 1;
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int n = i - istart + 1;
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argstack[nargstack].str = new char[n];
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argstack[nargstack].str = new char[n];
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@ -87,6 +87,8 @@ regular LAMMPS commands:
|
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- help (or ?) print a brief help message
|
- help (or ?) print a brief help message
|
||||||
- history display the current command history list
|
- history display the current command history list
|
||||||
- clear_history wipe out the current command history list
|
- clear_history wipe out the current command history list
|
||||||
|
- pwd print current working directory
|
||||||
|
- cd <directory> change current working directory (same as pwd if no directory)
|
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- |<command> execute <command> as a shell command and return to the command prompt
|
- |<command> execute <command> as a shell command and return to the command prompt
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- exit exit the LAMMPS shell cleanly (unlike the "quit" command)
|
- exit exit the LAMMPS shell cleanly (unlike the "quit" command)
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@ -25,6 +25,7 @@
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#include <io.h>
|
#include <io.h>
|
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#include <windows.h>
|
#include <windows.h>
|
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#define isatty(x) _isatty(x)
|
#define isatty(x) _isatty(x)
|
||||||
|
#define getcwd(buf, len) _getcwd(buf, len)
|
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#endif
|
#endif
|
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|
|
||||||
#if !defined(_WIN32)
|
#if !defined(_WIN32)
|
||||||
|
@ -460,6 +461,8 @@ static void init_commands()
|
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// store LAMMPS shell specific command names
|
// store LAMMPS shell specific command names
|
||||||
commands.push_back("help");
|
commands.push_back("help");
|
||||||
commands.push_back("exit");
|
commands.push_back("exit");
|
||||||
|
commands.push_back("pwd");
|
||||||
|
commands.push_back("cd");
|
||||||
commands.push_back("history");
|
commands.push_back("history");
|
||||||
commands.push_back("clear_history");
|
commands.push_back("clear_history");
|
||||||
|
|
||||||
|
@ -549,6 +552,16 @@ static int shell_cmd(const std::string &cmd)
|
||||||
} else if (words[0] == "exit") {
|
} else if (words[0] == "exit") {
|
||||||
free(text);
|
free(text);
|
||||||
return shell_end();
|
return shell_end();
|
||||||
|
} else if ((words[0] == "pwd") || ((words[0] == "cd") && (words.size() == 1))) {
|
||||||
|
if (getcwd(buf, buflen)) std::cout << buf << "\n";
|
||||||
|
free(text);
|
||||||
|
return 0;
|
||||||
|
} else if (words[0] == "cd") {
|
||||||
|
std::string shellcmd = "shell ";
|
||||||
|
shellcmd += text;
|
||||||
|
lammps_command(lmp, shellcmd.c_str());
|
||||||
|
free(text);
|
||||||
|
return 0;
|
||||||
} else if (words[0] == "history") {
|
} else if (words[0] == "history") {
|
||||||
free(text);
|
free(text);
|
||||||
HIST_ENTRY **list = history_list();
|
HIST_ENTRY **list = history_list();
|
||||||
|
|
|
@ -6,9 +6,9 @@ From: centos:7
|
||||||
yum -y update
|
yum -y update
|
||||||
yum -y install vim-enhanced \
|
yum -y install vim-enhanced \
|
||||||
ccache gcc-c++ gcc-gfortran clang gdb valgrind-openmpi \
|
ccache gcc-c++ gcc-gfortran clang gdb valgrind-openmpi \
|
||||||
make cmake cmake3 ninja-build patch which file git Lmod \
|
make cmake3 ninja-build patch which file git Lmod \
|
||||||
libpng-devel libjpeg-devel openmpi-devel mpich-devel python-devel python36-devel \
|
libpng-devel libjpeg-devel openmpi-devel mpich-devel python-devel python36-devel \
|
||||||
hdf5-devel python36-virtualenv python36-pip python-pip \
|
hdf5-devel python36-virtualenv python36-pip python-pip readline-devel \
|
||||||
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
|
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
|
||||||
python-virtualenv fftw-devel voro++-devel eigen3-devel gsl-devel openblas-devel enchant \
|
python-virtualenv fftw-devel voro++-devel eigen3-devel gsl-devel openblas-devel enchant \
|
||||||
blas-devel lapack-devel libyaml-devel openkim-models kim-api-devel zstd libzstd-devel
|
blas-devel lapack-devel libyaml-devel openkim-models kim-api-devel zstd libzstd-devel
|
||||||
|
@ -48,6 +48,21 @@ From: centos:7
|
||||||
cd ../../
|
cd ../../
|
||||||
rm -rvf plumed
|
rm -rvf plumed
|
||||||
|
|
||||||
|
# create missing readline pkgconfig file
|
||||||
|
cat > /usr/lib64/pkgconfig/readline.pc <<EOF
|
||||||
|
prefix=/usr
|
||||||
|
exec_prefix=/usr
|
||||||
|
libdir=/usr/lib64
|
||||||
|
includedir=/usr/include
|
||||||
|
|
||||||
|
Name: Readline
|
||||||
|
Description: GNU Readline library for command line editing
|
||||||
|
URL: http://tiswww.cwru.edu/php/chet/readline/rltop.html
|
||||||
|
Version: 6.2
|
||||||
|
Requires.private: ncurses
|
||||||
|
Libs: -L\${libdir} -lreadline
|
||||||
|
Cflags: -I\${includedir}/readline
|
||||||
|
EOF
|
||||||
# set custom prompt indicating the container name
|
# set custom prompt indicating the container name
|
||||||
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
|
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
|
||||||
cat >$CUSTOM_PROMPT_ENV <<EOF
|
cat >$CUSTOM_PROMPT_ENV <<EOF
|
||||||
|
|
|
@ -10,7 +10,7 @@ From: centos:8
|
||||||
eigen3-devel openblas-devel libpng-devel libjpeg-devel platform-python-devel \
|
eigen3-devel openblas-devel libpng-devel libjpeg-devel platform-python-devel \
|
||||||
openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
|
openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
|
||||||
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
|
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
|
||||||
enchant python3-virtualenv doxygen diffutils latexmk \
|
enchant python3-virtualenv doxygen diffutils latexmk readline-devel \
|
||||||
texlive-latex-fonts texlive-pslatex texlive-collection-latexrecommended \
|
texlive-latex-fonts texlive-pslatex texlive-collection-latexrecommended \
|
||||||
texlive-latex texlive-latexconfig doxygen-latex texlive-collection-latex \
|
texlive-latex texlive-latexconfig doxygen-latex texlive-collection-latex \
|
||||||
texlive-latex-bin texlive-lualatex-math texlive-fncychap texlive-tabulary \
|
texlive-latex-bin texlive-lualatex-math texlive-fncychap texlive-tabulary \
|
||||||
|
@ -54,6 +54,21 @@ From: centos:8
|
||||||
cd ../../
|
cd ../../
|
||||||
rm -rvf plumed
|
rm -rvf plumed
|
||||||
|
|
||||||
|
# create missing readline pkgconfig file
|
||||||
|
cat > /usr/lib64/pkgconfig/readline.pc <<EOF
|
||||||
|
prefix=/usr
|
||||||
|
exec_prefix=/usr
|
||||||
|
libdir=/usr/lib64
|
||||||
|
includedir=/usr/include
|
||||||
|
|
||||||
|
Name: Readline
|
||||||
|
Description: GNU Readline library for command line editing
|
||||||
|
URL: http://tiswww.cwru.edu/php/chet/readline/rltop.html
|
||||||
|
Version: 7.0
|
||||||
|
Requires.private: ncurses
|
||||||
|
Libs: -L\${libdir} -lreadline
|
||||||
|
Cflags: -I\${includedir}/readline
|
||||||
|
EOF
|
||||||
# set custom prompt indicating the container name
|
# set custom prompt indicating the container name
|
||||||
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
|
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
|
||||||
cat >$CUSTOM_PROMPT_ENV <<EOF
|
cat >$CUSTOM_PROMPT_ENV <<EOF
|
||||||
|
|
|
@ -9,7 +9,7 @@ From: fedora:32
|
||||||
ccache gcc-c++ gcc-gfortran gdb valgrind eigen3-devel openblas-devel \
|
ccache gcc-c++ gcc-gfortran gdb valgrind eigen3-devel openblas-devel \
|
||||||
openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
|
openmpi-devel mpich-devel fftw-devel voro++-devel gsl-devel hdf5-devel \
|
||||||
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
|
netcdf-devel netcdf-cxx-devel netcdf-mpich-devel netcdf-openmpi-devel \
|
||||||
python3-pyyaml \
|
readline-devel python3-pyyaml \
|
||||||
mingw-filesystem-base mingw32-nsis mingw-binutils-generic \
|
mingw-filesystem-base mingw32-nsis mingw-binutils-generic \
|
||||||
mingw32-filesystem mingw32-pkg-config \
|
mingw32-filesystem mingw32-pkg-config \
|
||||||
mingw64-filesystem mingw64-pkg-config \
|
mingw64-filesystem mingw64-pkg-config \
|
||||||
|
@ -18,16 +18,13 @@ From: fedora:32
|
||||||
mingw32-cpp mingw32-gcc mingw32-gcc-gfortran mingw32-gcc-c++ \
|
mingw32-cpp mingw32-gcc mingw32-gcc-gfortran mingw32-gcc-c++ \
|
||||||
mingw64-cpp mingw64-gcc mingw64-gcc-gfortran mingw64-gcc-c++ \
|
mingw64-cpp mingw64-gcc mingw64-gcc-gfortran mingw64-gcc-c++ \
|
||||||
mingw32-libgomp mingw64-libgomp \
|
mingw32-libgomp mingw64-libgomp \
|
||||||
mingw32-winpthreads mingw64-winpthreads \
|
|
||||||
mingw32-winpthreads-static mingw64-winpthreads-static \
|
mingw32-winpthreads-static mingw64-winpthreads-static \
|
||||||
mingw32-eigen3 mingw64-eigen3 \
|
mingw32-eigen3 mingw64-eigen3 \
|
||||||
mingw32-libjpeg-turbo mingw64-libjpeg-turbo \
|
|
||||||
mingw32-libjpeg-turbo-static mingw64-libjpeg-turbo-static \
|
mingw32-libjpeg-turbo-static mingw64-libjpeg-turbo-static \
|
||||||
mingw32-libpng mingw64-libpng \
|
|
||||||
mingw32-libpng-static mingw64-libpng-static \
|
mingw32-libpng-static mingw64-libpng-static \
|
||||||
mingw32-zlib mingw64-zlib \
|
mingw32-readline-static mingw64-readline-static \
|
||||||
|
mingw32-termcap-static mingw64-termcap-static \
|
||||||
mingw32-zlib-static mingw64-zlib-static \
|
mingw32-zlib-static mingw64-zlib-static \
|
||||||
mingw32-expat mingw64-expat \
|
|
||||||
mingw64-expat-static mingw32-expat-static \
|
mingw64-expat-static mingw32-expat-static \
|
||||||
mingw32-sqlite-static mingw64-sqlite-static \
|
mingw32-sqlite-static mingw64-sqlite-static \
|
||||||
enchant python3-virtualenv doxygen latexmk \
|
enchant python3-virtualenv doxygen latexmk \
|
||||||
|
@ -60,6 +57,33 @@ From: fedora:32
|
||||||
cd ../../
|
cd ../../
|
||||||
rm -rvf plumed
|
rm -rvf plumed
|
||||||
|
|
||||||
|
# create missing termcap pkgconfig files
|
||||||
|
cat > /usr/i686-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc <<EOF
|
||||||
|
prefix=/usr/i686-w64-mingw32/sys-root/mingw
|
||||||
|
exec_prefix=/usr/i686-w64-mingw32/sys-root/mingw
|
||||||
|
libdir=/usr/i686-w64-mingw32/sys-root/mingw/lib
|
||||||
|
includedir=/usr/i686-w64-mingw32/sys-root/mingw/include
|
||||||
|
|
||||||
|
Name: Termcap
|
||||||
|
Description: GNU/MinGW terminal feature database
|
||||||
|
URL: ftp://ftp.gnu.org/gnu/termcap/
|
||||||
|
Version: 1.3
|
||||||
|
Libs: -L\${libdir} -ltermcap
|
||||||
|
Cflags:
|
||||||
|
EOF
|
||||||
|
cat > /usr/x86_64-w64-mingw32/sys-root/mingw/lib/pkgconfig/termcap.pc <<EOF
|
||||||
|
prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
|
||||||
|
exec_prefix=/usr/x86_64-w64-mingw32/sys-root/mingw
|
||||||
|
libdir=/usr/x86_64-w64-mingw32/sys-root/mingw/lib
|
||||||
|
includedir=/usr/x86_64-w64-mingw32/sys-root/mingw/include
|
||||||
|
|
||||||
|
Name: Termcap
|
||||||
|
Description: GNU/MinGW terminal feature database
|
||||||
|
URL: ftp://ftp.gnu.org/gnu/termcap/
|
||||||
|
Version: 1.3
|
||||||
|
Libs: -L\${libdir} -ltermcap
|
||||||
|
Cflags:
|
||||||
|
EOF
|
||||||
# set custom prompt indicating the container name
|
# set custom prompt indicating the container name
|
||||||
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
|
CUSTOM_PROMPT_ENV=/.singularity.d/env/99-zz_custom_prompt.sh
|
||||||
cat >$CUSTOM_PROMPT_ENV <<EOF
|
cat >$CUSTOM_PROMPT_ENV <<EOF
|
||||||
|
|
|
@ -12,7 +12,7 @@ From: ubuntu:16.04
|
||||||
ccache gcc g++ gfortran \
|
ccache gcc g++ gfortran \
|
||||||
mpi-default-bin mpi-default-dev \
|
mpi-default-bin mpi-default-dev \
|
||||||
libfftw3-dev libjpeg-dev libpng12-dev libblas-dev liblapack-dev \
|
libfftw3-dev libjpeg-dev libpng12-dev libblas-dev liblapack-dev \
|
||||||
python-dev libeigen3-dev libgsl-dev libopenblas-dev \
|
python-dev libeigen3-dev libgsl-dev libopenblas-dev libreadline-dev \
|
||||||
virtualenv python3-dev python3-pip python3-pkg-resources \
|
virtualenv python3-dev python3-pip python3-pkg-resources \
|
||||||
python3-setuptools python3-virtualenv \
|
python3-setuptools python3-virtualenv \
|
||||||
enchant
|
enchant
|
||||||
|
|
|
@ -39,6 +39,7 @@ From: ubuntu:18.04
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
|
libreadline-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
libzstd-dev \
|
libzstd-dev \
|
||||||
|
|
|
@ -57,6 +57,7 @@ From: ubuntu:18.04
|
||||||
libopenblas-dev \
|
libopenblas-dev \
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
|
libreadline-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
|
|
|
@ -61,6 +61,7 @@ From: ubuntu:18.04
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
|
libreadline-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
libzstd-dev \
|
libzstd-dev \
|
||||||
|
|
|
@ -39,6 +39,7 @@ From: ubuntu:18.04
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
|
libreadline-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
libzstd-dev \
|
libzstd-dev \
|
||||||
|
|
|
@ -39,6 +39,7 @@ From: nvidia/cuda:11.0-devel-ubuntu18.04
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
|
libreadline-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
libzstd-dev \
|
libzstd-dev \
|
||||||
|
|
|
@ -39,6 +39,7 @@ From: ubuntu:20.04
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
|
libreadline-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
libzstd-dev \
|
libzstd-dev \
|
||||||
|
|
|
@ -58,6 +58,7 @@ From: ubuntu:20.04
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
|
libreadline-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
libzstd-dev \
|
libzstd-dev \
|
||||||
|
|
|
@ -62,6 +62,7 @@ From: ubuntu:20.04
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
|
libreadline-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
libzstd-dev \
|
libzstd-dev \
|
||||||
|
|
|
@ -39,6 +39,7 @@ From: ubuntu:20.04
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
|
libreadline-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
libzstd-dev \
|
libzstd-dev \
|
||||||
|
|
|
@ -39,6 +39,7 @@ From: nvidia/cuda:11.0-devel-ubuntu20.04
|
||||||
libnuma-dev \
|
libnuma-dev \
|
||||||
libpng-dev \
|
libpng-dev \
|
||||||
libproj-dev \
|
libproj-dev \
|
||||||
|
libreadline-dev \
|
||||||
libvtk6-dev \
|
libvtk6-dev \
|
||||||
libyaml-dev \
|
libyaml-dev \
|
||||||
libzstd-dev \
|
libzstd-dev \
|
||||||
|
|
Loading…
Reference in New Issue