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