From 8854e7b8de80d6745f5130b8ab3c15dd3cb6bc0a Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Oct 2020 00:20:15 -0400 Subject: [PATCH 1/6] Add desktop integration for LAMMPS shell --- cmake/Modules/Tools.cmake | 2 ++ .../icons/hicolor/128x128/apps/lammps.png | Bin 0 -> 39487 bytes .../icons/hicolor/16x16/apps/lammps.png | Bin 0 -> 15340 bytes .../icons/hicolor/22x22/apps/lammps.png | Bin 0 -> 15821 bytes .../icons/hicolor/32x32/apps/lammps.png | Bin 0 -> 16813 bytes .../icons/hicolor/48x48/apps/lammps.png | Bin 0 -> 19588 bytes .../icons/hicolor/64x64/apps/lammps.png | Bin 0 -> 22655 bytes tools/lammps-shell/lammps-shell.desktop | 10 ++++++++++ 8 files changed, 12 insertions(+) create mode 100644 tools/lammps-shell/icons/hicolor/128x128/apps/lammps.png create mode 100644 tools/lammps-shell/icons/hicolor/16x16/apps/lammps.png create mode 100644 tools/lammps-shell/icons/hicolor/22x22/apps/lammps.png create mode 100644 tools/lammps-shell/icons/hicolor/32x32/apps/lammps.png create mode 100644 tools/lammps-shell/icons/hicolor/48x48/apps/lammps.png create mode 100644 tools/lammps-shell/icons/hicolor/64x64/apps/lammps.png create mode 100644 tools/lammps-shell/lammps-shell.desktop diff --git a/cmake/Modules/Tools.cmake b/cmake/Modules/Tools.cmake index d033681c79..ad7c021e6e 100644 --- a/cmake/Modules/Tools.cmake +++ b/cmake/Modules/Tools.cmake @@ -41,6 +41,8 @@ if(BUILD_LAMMPS_SHELL) endif() target_link_libraries(lammps-shell PRIVATE lammps PkgConfig::READLINE) install(TARGETS lammps-shell EXPORT LAMMPS_Targets DESTINATION ${CMAKE_INSTALL_BINDIR}) + install(DIRECTORY icons DESTINATION ${CMAKE_INSTALL_DATAROOTDIR}/) + install(FILES lammps-shell.desktop DESTINATION ${CMAKE_INSTALL_DATAROOTDIR}/applications/) endif() diff --git a/tools/lammps-shell/icons/hicolor/128x128/apps/lammps.png b/tools/lammps-shell/icons/hicolor/128x128/apps/lammps.png new file mode 100644 index 0000000000000000000000000000000000000000..bfbeb479785b4d9e9d84627579e6cfcff036dee5 GIT 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f=%f; test -n \"$f\" && d=`dirname \$f` && cd \$d; LC_ALL=C lammps-shell \$f" +Name=The LAMMPS Shell +Terminal=true +GenericName=MD Simulator +Keywords=MD Simulation;LAMMPS;Molecular Dynamics;N-Body +Icon=lammps From 3242cd5d31ff0a06a0fbf29973334a53f97dac9b Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Oct 2020 00:29:48 -0400 Subject: [PATCH 2/6] mention desktop file and icons in README --- tools/lammps-shell/README | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/tools/lammps-shell/README b/tools/lammps-shell/README index 549f8a3343..d5d050c417 100644 --- a/tools/lammps-shell/README +++ b/tools/lammps-shell/README @@ -162,14 +162,14 @@ is. File extension association """""""""""""""""""""""""" -Since the LAMMPS shell (unlike the regular LAMMPS executable) does not -exit when an input file is passed on the command line with the "-in" or -"-i" flag (the behavior is like for "python -i "), it makes -the LAMMPS shell suitable for associating it with input files based on -their filename extension (e.g. ".lmp"). Since "lammps-shell" is a -console application, you have to run it inside a terminal program with a -command line like this: - - xterm -title "LAMMPS Shell" -e /path/to/lammps-shell -i in.file.lmp +The LAMMPS shell (unlike the regular LAMMPS executable) does not +exit when an input file is passed on the command line, which can be +either with the "-in" or "-i" flag (the behavior is like for +"python -i ") or as the first argument without a flag. +Thus the LAMMPS shell is suitable for associating it with input files +based on their filename extension (e.g. ".lmp"). Since "lammps-shell" +is a console application, you have to run it inside a terminal program. +A "lammps-shell.desktop" and suitable icon files are provided, so that +it can be integrated into compatible desktop environments. From c51d2a286a79288c5563f28b20a6afb275515c42 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Oct 2020 20:06:21 -0400 Subject: [PATCH 3/6] call resource compiler to include icon files into LAMMPS shell on Windows --- cmake/Modules/Tools.cmake | 11 ++++++++++- tools/lammps-shell/icons/lammps.ico | Bin 0 -> 209266 bytes tools/lammps-shell/icons/lmpfile.ico | Bin 0 -> 190289 bytes tools/lammps-shell/lmpicons.rc | 2 ++ 4 files changed, 12 insertions(+), 1 deletion(-) create mode 100644 tools/lammps-shell/icons/lammps.ico create mode 100644 tools/lammps-shell/icons/lmpfile.ico create mode 100644 tools/lammps-shell/lmpicons.rc diff --git a/cmake/Modules/Tools.cmake b/cmake/Modules/Tools.cmake index ad7c021e6e..efb3876468 100644 --- a/cmake/Modules/Tools.cmake +++ b/cmake/Modules/Tools.cmake @@ -34,7 +34,16 @@ if(BUILD_LAMMPS_SHELL) if(NOT LAMMPS_EXCEPTIONS) message(WARNING "The LAMMPS shell needs LAMMPS_EXCEPTIONS enabled for full functionality") endif() - add_executable(lammps-shell ${LAMMPS_TOOLS_DIR}/lammps-shell/lammps-shell.cpp) + + # include resource compiler to embed icons into the executable on Windows + if(CMAKE_SYSTEM_NAME STREQUAL "Windows") + enable_language(RC) + set(ICON_RC_FILE ${LAMMPS_TOOLS_DIR}/lammps-shell/lmpicons.rc) + endif() + + add_executable(lammps-shell ${LAMMPS_TOOLS_DIR}/lammps-shell/lammps-shell.cpp ${ICON_RC_FILE}) + target_include_directories(lammps-shell PRIVATE ${LAMMPS_TOOLS_DIR}/lammps-shell) + # workaround for broken readline pkg-config file on FreeBSD if(CMAKE_SYSTEM_NAME STREQUAL FreeBSD) target_include_directories(lammps-shell PRIVATE /usr/local/include) diff --git a/tools/lammps-shell/icons/lammps.ico b/tools/lammps-shell/icons/lammps.ico new file mode 100644 index 0000000000000000000000000000000000000000..cce156bf7998a0a15a1721b6499ef3143aebe878 GIT binary patch literal 209266 zcmb4~1y@^7wDyzW4#f);m*TE11PT<27k4dI+&x&a;IvTOi%W5W7byzXzdqu+A2+MKcO8md&mT(7c^~saT~k 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23 Oct 2020 20:12:03 -0400 Subject: [PATCH 4/6] add utils::path_dirname() to complement utils::path_basename() --- src/utils.cpp | 16 ++++++++++++++++ src/utils.h | 7 +++++++ unittest/utils/test_utils.cpp | 15 +++++++++++++++ 3 files changed, 38 insertions(+) diff --git a/src/utils.cpp b/src/utils.cpp index 40fc87ca01..5ae76ed00d 100644 --- a/src/utils.cpp +++ b/src/utils.cpp @@ -772,6 +772,22 @@ std::string utils::path_basename(const std::string &path) { return path.substr(start); } +/* ---------------------------------------------------------------------- + Return only the leading part of a path, return just the directory +------------------------------------------------------------------------- */ + +std::string utils::path_dirname(const std::string &path) { +#if defined(_WIN32) + size_t start = path.find_last_of("/\\"); +#else + size_t start = path.find_last_of("/"); +#endif + + if (start == std::string::npos) return "."; + + return path.substr(0,start); +} + /* ---------------------------------------------------------------------- join two paths ------------------------------------------------------------------------- */ diff --git a/src/utils.h b/src/utils.h index 7515f1f21b..52f7933caf 100644 --- a/src/utils.h +++ b/src/utils.h @@ -291,6 +291,13 @@ namespace LAMMPS_NS { std::string path_basename(const std::string &path); + /** Return the directory part of a path. Return "." if empty + * + * \param path file path + * \return directory name */ + + std::string path_dirname(const std::string &path); + /** Join two pathname segments * * This uses the forward slash '/' character unless LAMMPS is compiled diff --git a/unittest/utils/test_utils.cpp b/unittest/utils/test_utils.cpp index 796ce0f8c7..2c3da7b9df 100644 --- a/unittest/utils/test_utils.cpp +++ b/unittest/utils/test_utils.cpp @@ -525,11 +525,26 @@ TEST(Utils, path_basename) { #if defined(_WIN32) ASSERT_THAT(utils::path_basename("c:\\parent\\folder\\filename"), Eq("filename")); + ASSERT_THAT(utils::path_basename("folder\\"), Eq("")); + ASSERT_THAT(utils::path_basename("c:/parent/folder/filename"), Eq("filename")); #else ASSERT_THAT(utils::path_basename("/parent/folder/filename"), Eq("filename")); + ASSERT_THAT(utils::path_basename("/parent/folder/"), Eq("")); #endif } +TEST(Utils, path_dirname) +{ +#if defined(_WIN32) + ASSERT_THAT(utils::path_dirname("c:/parent/folder/filename"), Eq("c:/parent/folder")); + ASSERT_THAT(utils::path_dirname("c:\\parent\\folder\\filename"), Eq("c:\\parent\\folder")); + ASSERT_THAT(utils::path_dirname("c:filename"), Eq(".")); +#else + ASSERT_THAT(utils::path_dirname("/parent/folder/filename"), Eq("/parent/folder")); +#endif + ASSERT_THAT(utils::path_dirname("filename"), Eq(".")); +} + TEST(Utils, getsyserror) { #if defined(__linux__) From 1382559dbe353ffb8361753c3d9d69d8c8c48a86 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Oct 2020 20:42:24 -0400 Subject: [PATCH 5/6] adapt behavior of lammps-shell when passing filename without -in/-i flag To better handle the case of file association. We now split the path into a directory and basename string and change the current working directory to that directory and read the file with the basename. This simplifies the .desktop file and makes the LAMMPS shell behave as expected on Windows, too. --- tools/lammps-shell/lammps-shell.cpp | 10 ++++++---- tools/lammps-shell/lammps-shell.desktop | 2 +- 2 files changed, 7 insertions(+), 5 deletions(-) diff --git a/tools/lammps-shell/lammps-shell.cpp b/tools/lammps-shell/lammps-shell.cpp index b2c8137aba..03edcdc58a 100644 --- a/tools/lammps-shell/lammps-shell.cpp +++ b/tools/lammps-shell/lammps-shell.cpp @@ -719,10 +719,12 @@ int main(int argc, char **argv) // handle the special case where the first argument is not a flag but a file // this happens for example when using file type associations on Windows. // in this case we save the pointer and remove it from argv. - char *input_file = nullptr; + // we also get the directory name and switch to that folder + std::string input_file; if ((argc > 1) && (argv[1][0] != '-')) { --argc; - input_file = argv[1]; + input_file = utils::path_basename(argv[1]); + chdir(utils::path_dirname(input_file).c_str()); for (int i = 1; i < argc; ++i) argv[i] = argv[i+1]; } @@ -733,8 +735,8 @@ int main(int argc, char **argv) init_commands(); // pre-load an input file that was provided on the command line - if (input_file) { - lammps_file(lmp, input_file); + if (!input_file.empty()) { + lammps_file(lmp, input_file.c_str()); } else { for (int i = 0; i < argc; ++i) { if ((strcmp(argv[i], "-in") == 0) || (strcmp(argv[i], "-i") == 0)) { diff --git a/tools/lammps-shell/lammps-shell.desktop b/tools/lammps-shell/lammps-shell.desktop index 2804ca18bb..67675c8f22 100644 --- a/tools/lammps-shell/lammps-shell.desktop +++ b/tools/lammps-shell/lammps-shell.desktop @@ -2,7 +2,7 @@ Version=1.0 Type=Application Categories=Science;Engineering; -Exec=/bin/sh -c "echo -e -n \"\033]0;The LAMMPS Shell\007\"; f=%f; test -n \"$f\" && d=`dirname \$f` && cd \$d; LC_ALL=C lammps-shell \$f" +Exec=/bin/sh -c "echo -e -n \"\033]0;The LAMMPS Shell\007\"; LC_ALL=C lammps-shell %f" Name=The LAMMPS Shell Terminal=true GenericName=MD Simulator From b4f1779b62b41eb62fce3798c428b39e57d25ba6 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Oct 2020 21:04:45 -0400 Subject: [PATCH 6/6] reformat with clang-format --- tools/lammps-shell/lammps-shell.cpp | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/tools/lammps-shell/lammps-shell.cpp b/tools/lammps-shell/lammps-shell.cpp index 03edcdc58a..7ace6d6819 100644 --- a/tools/lammps-shell/lammps-shell.cpp +++ b/tools/lammps-shell/lammps-shell.cpp @@ -563,7 +563,7 @@ static int help_cmd() "in the current working directory and - if present - this file will be\n" "read at the beginning of the next session of the LAMMPS shell.\n\n" "Additional information is at https://packages.lammps.org/lammps-shell.html\n\n"; - return 0; + return 0; } static int shell_end() @@ -681,7 +681,7 @@ int main(int argc, char **argv) // switch to the user's documents directory. Avoid buffer overflow // and skip this step if the path is too long for our buffer. if (getcwd(buf, buflen)) { - if ((strstr(buf, "System32") || strstr(buf, "system32"))) { + if ((strstr(buf, "System32") || strstr(buf, "system32"))) { char *drive = getenv("HOMEDRIVE"); char *path = getenv("HOMEPATH"); buf[0] = '\0'; @@ -725,7 +725,8 @@ int main(int argc, char **argv) --argc; input_file = utils::path_basename(argv[1]); chdir(utils::path_dirname(input_file).c_str()); - for (int i = 1; i < argc; ++i) argv[i] = argv[i+1]; + for (int i = 1; i < argc; ++i) + argv[i] = argv[i + 1]; } lmp = lammps_open_no_mpi(argc, argv, nullptr); @@ -736,7 +737,7 @@ int main(int argc, char **argv) // pre-load an input file that was provided on the command line if (!input_file.empty()) { - lammps_file(lmp, input_file.c_str()); + lammps_file(lmp, input_file.c_str()); } else { for (int i = 0; i < argc; ++i) { if ((strcmp(argv[i], "-in") == 0) || (strcmp(argv[i], "-i") == 0)) {

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