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add option to load LAMMPS library dynamically at runtime as plugin

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This commit is contained in:
Axel Kohlmeyer
2023-07-26 18:25:13 -04:00
parent 0120c7b8b7
commit e0ed11a053
3 changed files with 91 additions and 5 deletions
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75
tools/lammps-gui/lammpsgui.cpp
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@ -26,10 +26,14 @@
#include <QTextStream>
#include <string>
#if defined(LAMMPS_GUI_USE_PLUGIN)
#include "liblammpsplugin.h"
#else
#include "library.h"
#endif
LammpsGui::LammpsGui(QWidget *parent, const char *filename) :
QMainWindow(parent), ui(new Ui::LammpsGui), lammps_handle(nullptr)
QMainWindow(parent), ui(new Ui::LammpsGui), lammps_handle(nullptr), plugin_handle(nullptr)
{
ui->setupUi(this);
this->setCentralWidget(ui->textEdit);
@ -71,6 +75,19 @@ LammpsGui::LammpsGui(QWidget *parent, const char *filename) :
status = new QLabel("Ready.");
status->setFixedWidth(300);
ui->statusbar->addWidget(status);
#if defined(LAMMPS_GUI_USE_PLUGIN)
liblammpsplugin_t *plugin = liblammpsplugin_load("liblammps.so");
if (!plugin) plugin = liblammpsplugin_load("liblammps.dylib");
if (!plugin) plugin = liblammpsplugin_load("liblammps.dll");
bool do_exit = !plugin || (plugin && plugin->abiversion != LAMMPSPLUGIN_ABI_VERSION);
if (!plugin) QMessageBox::critical(this, "Warning", "Cannot open LAMMPS shared library file");
if (plugin && (plugin->abiversion != LAMMPSPLUGIN_ABI_VERSION))
QMessageBox::critical(this, "Warning",
"ERROR: LAMMPS lib plugin ABI version does not match");
plugin_handle = plugin;
if (do_exit) exit(1);
#endif
}
LammpsGui::~LammpsGui()
@ -85,7 +102,12 @@ void LammpsGui::new_document()
{
current_file.clear();
ui->textEdit->document()->setPlainText(QString());
#if defined(LAMMPS_GUI_USE_PLUGIN)
if (lammps_handle) ((liblammpsplugin_t *)plugin_handle)->close(lammps_handle);
#else
if (lammps_handle) lammps_close(lammps_handle);
#endif
lammps_handle = nullptr;
setWindowTitle(QString("LAMMPS-GUI - *unknown*"));
}
@ -153,12 +175,22 @@ void LammpsGui::save_as()
void LammpsGui::quit()
{
#if defined(LAMMPS_GUI_USE_PLUGIN)
if (lammps_handle) {
liblammpsplugin_t *plugin = (liblammpsplugin_t *)plugin_handle;
plugin->close(lammps_handle);
plugin->mpi_finalize();
plugin->kokkos_finalize();
plugin->python_finalize();
}
#else
if (lammps_handle) {
lammps_close(lammps_handle);
lammps_mpi_finalize();
lammps_kokkos_finalize();
lammps_python_finalize();
}
#endif
QCoreApplication::quit();
}
@ -202,7 +234,12 @@ void LammpsGui::run_buffer()
clear();
capturer->BeginCapture();
std::string buffer = ui->textEdit->toPlainText().toStdString();
#if defined(LAMMPS_GUI_USE_PLUGIN)
liblammpsplugin_t *plugin = (liblammpsplugin_t *)plugin_handle;
plugin->commands_string(lammps_handle, buffer.c_str());
#else
lammps_commands_string(lammps_handle, buffer.c_str());
#endif
capturer->EndCapture();
auto log = capturer->GetCapture();
status->setText("Ready.");
@ -222,6 +259,16 @@ void LammpsGui::run_buffer()
QObject::connect(shortcut, &QShortcut::activated, box, &QPlainTextEdit::close);
box->show();
#if defined(LAMMPS_GUI_USE_PLUGIN)
if (plugin->has_error(lammps_handle)) {
constexpr int BUFLEN = 1024;
char errorbuf[BUFLEN];
plugin->get_last_error_message(lammps_handle, errorbuf, BUFLEN);
QMessageBox::critical(this, "LAMMPS-GUI Error",
QString("Error running LAMMPS:\n\n") + errorbuf);
}
#else
if (lammps_has_error(lammps_handle)) {
constexpr int BUFLEN = 1024;
char errorbuf[BUFLEN];
@ -230,12 +277,17 @@ void LammpsGui::run_buffer()
QMessageBox::critical(this, "LAMMPS-GUI Error",
QString("Error running LAMMPS:\n\n") + errorbuf);
}
#endif
}
void LammpsGui::clear()
{
if (lammps_handle) {
#if defined(LAMMPS_GUI_USE_PLUGIN)
((liblammpsplugin_t *)plugin_handle)->command(lammps_handle, "clear");
#else
lammps_command(lammps_handle, "clear");
#endif
}
ui->textEdit->moveCursor(QTextCursor::Start, QTextCursor::MoveAnchor);
}
@ -246,7 +298,11 @@ void LammpsGui::about()
std::string version = "This is LAMMPS-GUI version 0.1";
capturer->BeginCapture();
#if defined(LAMMPS_GUI_USE_PLUGIN)
((liblammpsplugin_t *)plugin_handle)->commands_string(lammps_handle, "info config");
#else
lammps_commands_string(lammps_handle, "info config");
#endif
capturer->EndCapture();
std::string info = capturer->GetCapture();
auto start = info.find("LAMMPS version:");
@ -272,6 +328,20 @@ void LammpsGui::start_lammps()
char *args[] = {(char *)"LAMMPS GUI", (char *)"-log", (char *)"none"};
int nargs = sizeof(args) / sizeof(char *);
#if defined(LAMMPS_GUI_USE_PLUGIN)
liblammpsplugin_t *plugin = (liblammpsplugin_t *)plugin_handle;
// Create LAMMPS instance if not already present
if (!lammps_handle) lammps_handle = plugin->open_no_mpi(nargs, args, nullptr);
if (plugin->has_error(lammps_handle)) {
constexpr int BUFLEN = 1024;
char errorbuf[BUFLEN];
plugin->get_last_error_message(lammps_handle, errorbuf, BUFLEN);
QMessageBox::critical(this, "LAMMPS-GUI Error",
QString("Error launching LAMMPS:\n\n") + errorbuf);
}
#else
// Create LAMMPS instance if not already present
if (!lammps_handle) lammps_handle = lammps_open_no_mpi(nargs, args, nullptr);
if (lammps_has_error(lammps_handle)) {
@ -280,8 +350,9 @@ void LammpsGui::start_lammps()
lammps_get_last_error_message(lammps_handle, errorbuf, BUFLEN);
QMessageBox::critical(this, "LAMMPS-GUI Error",
QString("Error launching LAMMPS:\n\n") + errorbuf);
QString("Error launching LAMMPS:\n\n") + errorbuf);
}
#endif
}
// Local Variables: