diff options
Diffstat (limited to 'sci-chemistry/apbs/files/apbs-1.4.1-python.patch')
| -rw-r--r-- | sci-chemistry/apbs/files/apbs-1.4.1-python.patch | 122 |
1 files changed, 0 insertions, 122 deletions
diff --git a/sci-chemistry/apbs/files/apbs-1.4.1-python.patch b/sci-chemistry/apbs/files/apbs-1.4.1-python.patch deleted file mode 100644 index 5ad6613615f2..000000000000 --- a/sci-chemistry/apbs/files/apbs-1.4.1-python.patch +++ /dev/null @@ -1,122 +0,0 @@ - apbs/contrib/iapbs/src/apbs_driver.c | 6 +++--- - apbs/src/CMakeLists.txt | 1 + - apbs/tools/CMakeLists.txt | 2 +- - apbs/tools/python/CMakeLists.txt | 1 + - apbs/tools/python/apbslib.c | 4 ++-- - apbs/tools/python/apbslib.i | 4 ++-- - apbs/tools/python/setup.py | 16 ++++++++++++++++ - 7 files changed, 26 insertions(+), 8 deletions(-) - -diff --git a/contrib/iapbs/src/apbs_driver.c b/contrib/iapbs/src/apbs_driver.c -index c9e443b..e1ad67f 100644 ---- a/contrib/iapbs/src/apbs_driver.c -+++ b/contrib/iapbs/src/apbs_driver.c -@@ -595,7 +595,7 @@ int apbsdrv_( - printPBEPARM(pbeparm); - - /* Refine mesh */ -- if (!preRefineFE(i, nosh, feparm, fetk)) { -+ if (!preRefineFE(i, feparm, fetk)) { - Vnm_tprint( 2, "Error pre-refining mesh!\n"); - VJMPERR1(0); - } -@@ -609,7 +609,7 @@ int apbsdrv_( - Vnm_tprint(1, " Beginning solve-estimate-refine cycle:\n"); - for (isolve=0; isolve<feparm->maxsolve; isolve++) { - Vnm_tprint(1, " Solve #%d...\n", isolve); -- if (!solveFE(i, nosh, pbeparm, feparm, fetk)) { -+ if (!solveFE(i, pbeparm, feparm, fetk)) { - Vnm_tprint(2, "ERROR SOLVING EQUATION!\n"); - VJMPERR1(0); - } -@@ -622,7 +622,7 @@ int apbsdrv_( - /* We're not going to refine if we've hit the max number - * of solves */ - if (isolve < (feparm->maxsolve)-1) { -- if (!postRefineFE(i, nosh, feparm, fetk)) break; -+ if (!postRefineFE(i, feparm, fetk)) break; - } - bytesTotal = Vmem_bytesTotal(); - highWater = Vmem_highWaterTotal(); -diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt -index 44d20fa..2577343 100644 ---- a/src/CMakeLists.txt -+++ b/src/CMakeLists.txt -@@ -68,6 +68,7 @@ configure_file( - - if(ENABLE_iAPBS) - ADD_LIBRARY(apbs_routines routines.c routines.h) -+ target_link_libraries(apbs_routines apbs_mg apbs_fem) - INSTALL(TARGETS apbs_routines DESTINATION ${LIBRARY_INSTALL_PATH}) - INSTALL(FILES apbscfg.h DESTINATION ${HEADER_INSTALL_PATH}) - endif() -diff --git a/tools/CMakeLists.txt b/tools/CMakeLists.txt -index 1982a3c..4acbe68 100644 ---- a/tools/CMakeLists.txt -+++ b/tools/CMakeLists.txt -@@ -4,5 +4,5 @@ add_subdirectory(mesh) - add_subdirectory(manip) - - if(ENABLE_PYTHON) -- add_subdirectory(manip) -+ add_subdirectory(python) - endif(ENABLE_PYTHON) -diff --git a/tools/python/CMakeLists.txt b/tools/python/CMakeLists.txt -new file mode 100644 -index 0000000..8b13789 ---- /dev/null -+++ b/tools/python/CMakeLists.txt -@@ -0,0 +1 @@ -+ -diff --git a/tools/python/apbslib.c b/tools/python/apbslib.c -index fef5cc8..feaaa2c 100644 ---- a/tools/python/apbslib.c -+++ b/tools/python/apbslib.c -@@ -2504,8 +2504,8 @@ static swig_module_info swig_module = {swig_types, 24, 0, 0, 0, 0}; - #include "maloc/maloc.h" - #include "apbscfg.h" - #include "routines.h" --#include "apbs/valist.h" --#include "apbs/vatom.h" -+#include "generic/valist.h" -+#include "generic/vatom.h" - - - #include <limits.h> -diff --git a/tools/python/apbslib.i b/tools/python/apbslib.i -index 17fe521..44d05ea 100644 ---- a/tools/python/apbslib.i -+++ b/tools/python/apbslib.i -@@ -15,8 +15,8 @@ Header files: - #include "maloc/maloc.h" - #include "apbscfg.h" - #include "routines.h" --#include "apbs/valist.h" --#include "apbs/vatom.h" -+#include "generic/valist.h" -+#include "generic/vatom.h" - %} - - /* -diff --git a/tools/python/setup.py b/tools/python/setup.py -new file mode 100644 -index 0000000..4a20198 ---- /dev/null -+++ b/tools/python/setup.py -@@ -0,0 +1,16 @@ -+from distutils.core import setup, Extension -+setup(name='apbs', -+ version='1.4.1', -+ package_dir={'apbs': '', 'vgrid': 'vgrid'}, -+ packages=['apbs', 'vgrid'], -+ py_modules=['apbslib', 'main', 'noinput'], -+ ext_modules=[ -+ Extension( -+ '_apbslib', -+ ['apbslib.i'], -+ swig_opts=['-module', 'apbslib', '-I../include'], -+ include_dirs=["../../src"], -+ libraries=["apbs_generic", "apbs_routines"] -+ ) -+ ], -+ ) |