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Commit 8e9ce48f authored by Giovanni Bussi's avatar Giovanni Bussi
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Doc and changelog

Ready for merge. Nothing should change with existing Makefile.conf.
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...@@ -25,6 +25,8 @@ Changes from version 2.0 which are relevant for users: ...@@ -25,6 +25,8 @@ Changes from version 2.0 which are relevant for users:
- Added STRETCH flag to \ref switchingfunction. - Added STRETCH flag to \ref switchingfunction.
- Added possibility to read trajectories from \ref driver using VMD molfile - Added possibility to read trajectories from \ref driver using VMD molfile
plugin (requires VMD plugins to be compiled and installed) plugin (requires VMD plugins to be compiled and installed)
- Simplified configuration with the possibility to use an internally compiled
version of lapack and blas.
Changes from version 2.0 which are relevant for developers: Changes from version 2.0 which are relevant for developers:
- Added regtests for plumed as a library (e.g. basic/rt-make-0). plumed command has an additional - Added regtests for plumed as a library (e.g. basic/rt-make-0). plumed command has an additional
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...@@ -17,7 +17,7 @@ Makefile.conf file. Notable variables there: ...@@ -17,7 +17,7 @@ Makefile.conf file. Notable variables there:
- DYNAMIC_LIB : these are the libraries needed to compile the PLUMED - DYNAMIC_LIB : these are the libraries needed to compile the PLUMED
library (e.g. -L/path/to/matheval -lmatheval etc). Notice that for the library (e.g. -L/path/to/matheval -lmatheval etc). Notice that for the
PLUMED shared library to be compiled properly these should be dynamic PLUMED shared library to be compiled properly these should be dynamic
libraries. Also notice that PLUMED requires BLAS and LAPACK library; libraries. Also notice that PLUMED preferentially requires BLAS and LAPACK library;
see \ref BlasAndLapack for further info. see \ref BlasAndLapack for further info.
- CPPFLAGS : add here definition needed to enable specific optional functions; - CPPFLAGS : add here definition needed to enable specific optional functions;
e.g. use -D__PLUMED_HAS_MATHEVAL to enable matheval library e.g. use -D__PLUMED_HAS_MATHEVAL to enable matheval library
...@@ -89,7 +89,10 @@ This is currently the only way to use a PLUMED static executable on Windows. ...@@ -89,7 +89,10 @@ This is currently the only way to use a PLUMED static executable on Windows.
We tried to keep PLUMED as independent as possible from external libraries. We tried to keep PLUMED as independent as possible from external libraries.
Moreover, some libraries (e.g. Almost and Matheval) providing Moreover, some libraries (e.g. Almost and Matheval) providing
extra features are optional. However, to have a properly working PLUMED extra features are optional. However, to have a properly working PLUMED
you need to link BLAS and LAPACK libraries. Here you find some note. you need to link BLAS and LAPACK libraries.
In case you cannot install proper BLAS and LAPACK libraries on your machine,
you have the possibility of using an internally compiled (possibly slower) versionx .
Here you find some note.
First of all, the DYNAMIC_LIB variable in the configuration file First of all, the DYNAMIC_LIB variable in the configuration file
should contain the flag necessary to load these libraries should contain the flag necessary to load these libraries
...@@ -107,6 +110,10 @@ in configuration file). ...@@ -107,6 +110,10 @@ in configuration file).
is written in C++ and often C++ linkers do not include by default Fortran libraries is written in C++ and often C++ linkers do not include by default Fortran libraries
which are required for lapack and blas to work. Please check the documentation of your compiler. which are required for lapack and blas to work. Please check the documentation of your compiler.
In case you cannot manage to install blas and lapack, you can use the internal
ones. Just add to the CPPFLAGS the flags -D__PLUMED_INTERNAL_BLAS
-D__PLUMED_INTERNAL_LAPACK
\section Installing Installing PLUMED \section Installing Installing PLUMED
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