diff --git a/wrapper/CAS/_CAS_free_functions.pypp.cpp b/wrapper/CAS/_CAS_free_functions.pypp.cpp index e236f0dc6..9abc8f9d9 100644 --- a/wrapper/CAS/_CAS_free_functions.pypp.cpp +++ b/wrapper/CAS/_CAS_free_functions.pypp.cpp @@ -1126,32 +1126,6 @@ void register_free_functions(){ } - { //::cbrt - - typedef float ( *cbrt_function_type )( float ); - cbrt_function_type cbrt_function_value( &::cbrt ); - - bp::def( - "cbrt" - , cbrt_function_value - , ( bp::arg("__lcpp_x") ) - , "" ); - - } - - { //::cbrt - - typedef long double ( *cbrt_function_type )( long double ); - cbrt_function_type cbrt_function_value( &::cbrt ); - - bp::def( - "cbrt" - , cbrt_function_value - , ( bp::arg("__lcpp_x") ) - , "" ); - - } - { //::SireCAS::cbrt typedef ::SireCAS::Expression ( *cbrt_function_type )( ::SireCAS::Expression const & ); @@ -1178,32 +1152,6 @@ void register_free_functions(){ } - { //::pow - - typedef float ( *pow_function_type )( float,float ); - pow_function_type pow_function_value( &::pow ); - - bp::def( - "pow" - , pow_function_value - , ( bp::arg("__lcpp_x"), bp::arg("__lcpp_y") ) - , "" ); - - } - - { //::pow - - typedef long double ( *pow_function_type )( long double,long double ); - pow_function_type pow_function_value( &::pow ); - - bp::def( - "pow" - , pow_function_value - , ( bp::arg("__lcpp_x"), bp::arg("__lcpp_y") ) - , "" ); - - } - { //::SireCAS::pow typedef ::SireCAS::Expression ( *pow_function_type )( ::SireCAS::Expression const &,int ); @@ -1360,31 +1308,6 @@ void register_free_functions(){ } - { //::sqrt - - typedef float ( *sqrt_function_type )( float ); - sqrt_function_type sqrt_function_value( &::sqrt ); - - bp::def( - "sqrt" - , sqrt_function_value - , ( bp::arg("__lcpp_x") ) - , "" ); - - } - - { //::sqrt - - typedef long double ( *sqrt_function_type )( long double ); - sqrt_function_type sqrt_function_value( &::sqrt ); - - bp::def( - "sqrt" - , sqrt_function_value - , ( bp::arg("__lcpp_x") ) - , "" ); - - } { //::SireCAS::sqrt diff --git a/wrapper/FF/ForceFields.pypp.cpp b/wrapper/FF/ForceFields.pypp.cpp index 040326994..226589c96 100644 --- a/wrapper/FF/ForceFields.pypp.cpp +++ b/wrapper/FF/ForceFields.pypp.cpp @@ -6,6 +6,10 @@ #include "Helpers/clone_const_reference.hpp" #include "ForceFields.pypp.hpp" +#ifdef _WIN32 +struct IUnknown; +#endif + namespace bp = boost::python; #include "SireBase/combineproperties.h" diff --git a/wrapper/Tools/FreeEnergyAnalysis.py b/wrapper/Tools/FreeEnergyAnalysis.py index 046623858..c2631ae82 100644 --- a/wrapper/Tools/FreeEnergyAnalysis.py +++ b/wrapper/Tools/FreeEnergyAnalysis.py @@ -21,7 +21,6 @@ raise ImportError('Numpy is not installed. Please install numpy in order to use MBAR for your free energy analysis.') from pymbar import MBAR from pymbar import timeseries -import matplotlib.pylab as plt import warnings diff --git a/wrapper/python/main.cpp b/wrapper/python/main.cpp index f3f754dee..61cfaa982 100644 --- a/wrapper/python/main.cpp +++ b/wrapper/python/main.cpp @@ -180,6 +180,10 @@ int main(int argc, char **argv) qputenv("PYTHONHOME", python_home.canonicalPath().toUtf8()); */ +#ifdef _WIN32 + qputenv("PYTHONHOME", QDir(getInstallDir()).canonicalPath().toUtf8() ); +#endif + //now look at the name of the executable. If there is a script with this //name in share/scripts then run that script QDir scripts_dir( QString("%1/scripts").arg(getShareDir()) );