Differences

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--- dev:makefile [2014/07/25 15:17] – [Packages] oschuett
+++ dev:makefile [2026/01/08 13:28] (current) – removed oschuett
@@ Line 1: / Line 1: @@
-====== Makefile ======
-The CP2K Makefile automatically adopts to changes of the code base.
-To add a file to the source tree, just create it. The Makefile will automatically discover it, compile it, and link it. Consequently, files that do not belong into the CP2K libraries must end on an ignored suffix.
-The file discovery is based on a simple suffix naming convention:
-  * **.F files** are Fortran files. They are compiled into an object. They should contain either a ''MODULE'' or a ''PROGRAM''.
-  * **.f90 files** are included Fortran files. They are **not** compiled into an object.
-  * **.c files** are C-files. They are compiled into an object.
-  * **.cu files** are Cuda-C-files. They are compiled into an object using Nvidia's ''nvcc''.
-  * **.h files** are C-header files. They are included by .c or .cu files. They are **not** compiled into an object.
-===== Packages =====
-The code base is structured into directories. This will allow for making CP2K more modular, i.e. consisting of smaller packages with fewer dependencies. Every directory therefore contains a file named ''PACKAGE'' . A typical ''PACKAGE'', which uses python syntax, looks like this:
-<code python>
-{
-"description": "Distributed Block Compressed Sparse Row, A sparse matrix library",
-"requires": ["../base", "../mpiwrap", "../acc", "libsmm_acc"],
-"public": ["dbcsr_api.F"],
-"archive": "libdbcsr",
-}
-</code>
-The entries ''description'' and ''requires'' are mandatory.
-The entry ''requires''  list all the directories on which the code in the current directory may depend upon. This means, modules in the current directory may only use modules from the listed directories. The requirements between directories must **not** have cycles. This is checked during compilation.
-The optional entry ''public'' lists all files, which other packages may use. This allows to hide package internals. If the ''public'' entry is absent, all files within the package are public. This is checked during compilation.
-The optional entry ''archive'' allows to overwrite the filename of the archive, which is created during compilation. The default name is "libcp2k<package_name>".
-===== Compiling Multiple Versions =====
-The Makefile allows to compile multiple versions of all build targets in parallel:
-<code>
-$ make ARCH=Linux-x86-64-gfortran VERSION="sopt sdbg popt pdbg"
-</code>
-building only the main CP2K binary can be done as
-<code>
-$ make ARCH=Linux-x86-64-gfortran VERSION="sopt sdbg popt pdbg" cp2k
-</code>