mirror of https://github.com/lammps/lammps.git
rename "minimal" preset to "basic"
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@ -140,7 +140,7 @@ can be used several times in one command.
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For your convenience we provide :ref:`CMake presets <cmake_presets>`
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that combine multiple settings to enable optional LAMMPS packages or use
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a different compiler tool chain. Those are loaded with the *-C* flag
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(``-C ../cmake/presets/minimal.cmake``). This step would only be needed
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(``-C ../cmake/presets/basic.cmake``). This step would only be needed
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once, as the settings from the preset files are stored in the
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``CMakeCache.txt`` file. It is also possible to customize the build
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by adding one or more *-D* flags to the CMake command line.
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@ -622,7 +622,7 @@ This list was last updated for version 3.4.1 of the Kokkos library.
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mkdir build-kokkos-cuda
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cd build-kokkos-cuda
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cmake -C ../cmake/presets/minimal.cmake -C ../cmake/presets/kokkos-cuda.cmake ../cmake
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cmake -C ../cmake/presets/basic.cmake -C ../cmake/presets/kokkos-cuda.cmake ../cmake
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cmake --build .
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.. tab:: Basic traditional make settings:
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@ -1805,7 +1805,7 @@ verified to work in February 2020 with Quantum Espresso versions 6.3 to
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.. code-block:: bash
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cmake -C ../cmake/presets/minimal.cmake -D PKG_QMMM=yes \
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cmake -C ../cmake/presets/basic.cmake -D PKG_QMMM=yes \
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-D BUILD_LIB=yes -DBUILD_SHARED_LIBS=yes ../cmake
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After completing the LAMMPS build and also configuring and
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@ -167,7 +167,7 @@ one of them as a starting point and customize it to your needs.
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.. code-block:: bash
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cmake -C ../cmake/presets/minimal.cmake [OPTIONS] ../cmake # enable just a few core packages
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cmake -C ../cmake/presets/basic.cmake [OPTIONS] ../cmake # enable just a few core packages
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cmake -C ../cmake/presets/most.cmake [OPTIONS] ../cmake # enable most packages
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cmake -C ../cmake/presets/download.cmake [OPTIONS] ../cmake # enable packages which download sources or potential files
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cmake -C ../cmake/presets/nolib.cmake [OPTIONS] ../cmake # disable packages that do require extra libraries or tools
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@ -222,10 +222,10 @@ These commands install/un-install sets of packages:
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make yes-all # install all packages
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make no-all # uninstall all packages
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make yes-minimal # install all few commonly used pgks in src
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make no-minimal # remove all commonly used pkgs from src dir
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make yes-most # install all many pgks w/o libs in src
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make no-most # remove all many pkgs w/o libs from src dir
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make yes-basic # install a few commonly used packages'
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make no-basic # remove a few commonly used packages'
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make yes-most # install most packages w/o libs'
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make no-most # remove most packages w/o libs'
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make yes-lib # install packages that require extra libraries
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make no-lib # uninstall packages that require extra libraries
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make yes-ext # install packages that require external libraries
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@ -382,9 +382,9 @@ change some variables later with additional *-D* flags. A few examples:
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.. code-block:: bash
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cmake -C ../cmake/presets/minimal.cmake -D PKG_MISC=on ../cmake
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cmake -C ../cmake/presets/basic.cmake -D PKG_MISC=on ../cmake
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cmake -C ../cmake/presets/clang.cmake -C ../cmake/presets/most.cmake ../cmake
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cmake -C ../cmake/presets/minimal.cmake -D BUILD_MPI=off ../cmake
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cmake -C ../cmake/presets/basic.cmake -D BUILD_MPI=off ../cmake
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The first command will install the packages ``KSPACE``, ``MANYBODY``,
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``MOLECULE``, ``RIGID`` and ``MISC``; the first four from the preset
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@ -400,7 +400,7 @@ It is also possible to do this incrementally.
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.. code-block:: bash
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cmake -C ../cmake/presets/minimal.cmake ../cmake
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cmake -C ../cmake/presets/basic.cmake ../cmake
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cmake -D PKG_MISC=on .
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will achieve the same final configuration as in the first example above.
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@ -208,7 +208,7 @@ Presets are a way to specify a collection of CMake options using a file.
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.. code-block:: bash
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cmake ../cmake/presets/minimal.cmake ../cmake
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cmake ../cmake/presets/basic.cmake ../cmake
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This command configures the build and generates the necessary Makefiles. To compile the binary, run the make command.
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@ -69,7 +69,7 @@ this.
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cd build
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# configure LAMMPS compilation
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cmake -C ../cmake/presets/minimal.cmake -D BUILD_SHARED_LIBS=on \
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cmake -C ../cmake/presets/basic.cmake -D BUILD_SHARED_LIBS=on \
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-D LAMMPS_EXCEPTIONS=on -D PKG_PYTHON=on ../cmake
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# compile LAMMPS
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@ -55,7 +55,7 @@ build configuration with CMake:
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mkdir build-qmmm
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cd build-qmmm
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cmake -C ../cmake/presets/minimal.cmake -D PKG_QMMM=yes \
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cmake -C ../cmake/presets/basic.cmake -D PKG_QMMM=yes \
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-D BUILD_LIB=yes -DBUILD_SHARED_LIBS=yes ../cmake
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make
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make install
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@ -51,7 +51,7 @@ which has both LAMMPS and its Python package installed:
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6. Configure LAMMPS compilation (CMake)
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```shell
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(myenv)$ cmake -C ../cmake/presets/minimal.cmake \
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(myenv)$ cmake -C ../cmake/presets/basic.cmake \
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-D BUILD_SHARED_LIBS=on \
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-D LAMMPS_EXCEPTIONS=on -D PKG_PYTHON=on \
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-D CMAKE_INSTALL_PREFIX=$VIRTUAL_ENV \
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28
src/Makefile
28
src/Makefile
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@ -38,7 +38,7 @@ endif
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# Package variables
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# PACKAGE = all packages
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# PACKMIN = a few core packages
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# PACKBASIC = a few core packages
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# PACKMOST = most packages that do not require additional libs
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# PACKLIB = all packages that require an additional lib
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# should be PACKSYS + PACKINT + PACKEXT
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@ -134,7 +134,7 @@ PACKAGE = \
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# NOTE: the last four packages must remain at the end since
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# they depend on other packages to be installed first.
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PACKMIN = kspace manybody molecule rigid
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PACKBASIC = kspace manybody molecule rigid
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PACKMOST = \
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asphere \
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@ -270,10 +270,10 @@ help:
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@echo 'make no-package remove a single pkg from src dir'
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@echo 'make yes-all install all pgks in src dir'
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@echo 'make no-all remove all pkgs from src dir'
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@echo 'make yes-standard (yes-std) install all standard pkgs'
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@echo 'make no-standard (no-std) remove all standard pkgs'
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@echo 'make yes-user install all user pkgs'
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@echo 'make no-user remove all user pkgs'
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@echo 'make yes-basic install a few commonly used pgks'
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@echo 'make no-basic remove a few commonly used pkgs'
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@echo 'make yes-most install most pgks w/o libs'
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@echo 'make no-most remove most pgks w/o libs'
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@echo 'make yes-lib install all pkgs with libs (included or ext)'
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@echo 'make no-lib remove all pkgs with libs (included or ext)'
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@echo 'make yes-ext install all pkgs with external libs'
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@ -478,10 +478,10 @@ package:
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@echo 'make package-installed (pi) list of installed packages'
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@echo 'make yes-package install a single pgk in src dir'
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@echo 'make no-package remove a single pkg from src dir'
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@echo 'make yes-minimal install all few commonly used pgks in src'
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@echo 'make no-minimal remove all commonly used pkgs from src dir'
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@echo 'make yes-most install all many pgks w/o libs in src'
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@echo 'make no-most remove all many pkgs w/o libs from src dir'
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@echo 'make yes-basic install a few commonly used pgks in src'
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@echo 'make no-basic remove a few commonly used pkgs from src dir'
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@echo 'make yes-most install most pgks w/o libs in src'
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@echo 'make no-most remove most pkgs w/o libs from src dir'
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@echo 'make yes-all install all pgks in src dir'
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@echo 'make no-all remove all pkgs from src dir'
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@echo 'make yes-lib install all pkgs with libs (included or ext)'
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@ -513,11 +513,11 @@ yes-user:
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no-user:
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@echo 'There are no more "standard" or "user" packages in LAMMPS'
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yes-minimal:
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@for p in $(PACKMIN); do $(MAKE) yes-$$p; done
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yes-basic:
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@for p in $(PACKBASIC); do $(MAKE) yes-$$p; done
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no-minimal:
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@for p in $(PACKMIN); do $(MAKE) no-$$p; done
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no-basic:
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@for p in $(PACKBASIC); do $(MAKE) no-$$p; done
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yes-most:
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@for p in $(PACKMOST); do $(MAKE) yes-$$p; done
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