738 Commits

Author SHA1 Message Date
David L Parkhurst
21b38a9779 removed FC_FUNC from IPhreeqc_interface_F.h, fixed padfstring to use int sofar
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9357 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-03-13 18:34:10 +00:00
David L Parkhurst
1709dc7c2b Tested all phast3 configurations on ex4.
Changed default logic to write xyz only for count_chem cells.
   If NEW_STYLE_XYZ is defined, then xyz file contains nxyz cells.

write2_2.f90 changed to USE IPhreeqc
write5.f90 changed to USE IPhreeqc

TestRM advection_f90.F90 changed to USE IPhreeqc
TestRM species_f90.F90 changed to USE IPhreeqc

FortranAdvect.vfproj: IPhreeqc.f90.inc removed and IPhreeqc_interface.F90 added.

PhreeqcRM.vcxproj, PhreeqcRM.vcxproj.filters: fwrap files removed and IPhreeqc_interface_F.cpp added

phast3.vcxproj: added or corrected postbuild copy of zlib1, hdf5dll, and szlibdll.dll.
   removed OLD_STYLE_XYZ (logically it is now the default for xyz file).
   removed dead preprocessor definitions PHREEQC_CPP, MERGE_FILES, GZIP_RESTART, OMPI_IMPORTS

phastf.vfproj: removed IPhreeqc.f90.inc added IPhreeqc_interface.F90.

fwrap files are compiled if #ifdef IPHREEQC_NO_FORTRAN_MODULE

IPhreeqc_interface.F90 compiled if #ifndef IPHREEQC_NO_FORTRAN_MODULE
   fixed bug intent(inout) should have been intent(in) (constant character argument).
   fixed interfaces for SetBasicFortranCallback

IPhreeqc_interface_F.cpp compiled if #ifndef IPHREEQC_NO_FORTRAN_MODULE

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9356 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-03-13 16:40:25 +00:00
Scott R Charlton
3770b76f8c updated for PhreeqcKeywords
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9355 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-03-13 06:14:19 +00:00
Scott R Charlton
bae6f83b59 Display error message if CLR and MSVC < 2010
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9354 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-03-12 22:55:16 +00:00
Scott R Charlton
9d4836d413 minor cleanup
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9353 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-03-12 22:26:17 +00:00
Scott R Charlton
2a611c219d working on cmake build
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9352 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-03-12 21:55:06 +00:00
David L Parkhurst
92f0ac92aa Made IPhreeqc a Fortran module when IPHREEQC_MODULE is defined.
fwrap routines are used if IPHREEQC_MODULE is not defined.
If IPHREEQC_MODULE is defined, then IPhreeqc_interface.F90 defines the Fortran Module.
    compile it with the user Fortran code.
IPhreeqc_interface_F.cpp is a modification of fwrap.cpp, which the Fortran Module functions call.
IPhreeqc_interface_F.h is a modification of fwrap.h used only by IPhreeqc_interface_F.cpp.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9347 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-03-11 16:18:41 +00:00
Scott R Charlton
5f878fe396 updated for Keywords
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9344 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-03-10 21:51:55 +00:00
Scott R Charlton
6db24c4ddf changed the following in order to pass make check on linux
#ifdef _DEBUG
  this->OutputFileOn = false;
#endif

to

#if !defined(NDEBUG)
  this->OutputFileOn = false;
#endif



git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9292 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-02-20 05:49:48 +00:00
David L Parkhurst
9e8433dd5b cast size_t to (unsinged int)
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9262 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-02-10 22:57:14 +00:00
Scott R Charlton
d67163bf5e reformatted for linux
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9204 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-01-27 04:22:10 +00:00
Scott R Charlton
f87ea6d4b9 fixed f2cstring error that occurred when given an empty string
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9203 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-01-27 01:59:34 +00:00
Scott R Charlton
19075d934b added fimpl.h to dist
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9191 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-01-21 03:24:27 +00:00
Scott R Charlton
8fc13dc64e removed vs2008 directory and props
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9144 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-12-20 06:30:17 +00:00
David L Parkhurst
9afb670e92 working on vs2008 soln/projs
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9143 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-12-20 00:07:41 +00:00
David L Parkhurst
a2218b7842 Fixed Linux errors
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9140 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-12-19 17:58:29 +00:00
Scott R Charlton
64ee98717f removed AM_PROG_AR for building on lobo02
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9113 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-12-16 05:20:55 +00:00
Scott R Charlton
eae91e7682 delete .RData before and after running CMD; added --resave-data to build command
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9102 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-12-11 06:59:30 +00:00
Scott R Charlton
9b1282df50 removed R/phreeqc/doc directory; Changed Title/DESCRIPTION based on
email from Kurt.Hornik@wu.ac.at 12/03/2014

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9087 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-12-04 06:14:53 +00:00
Scott R Charlton
dc93c84f92 Fixed left shift operator error and null pointer error for R UBSAN check;
Added INVERSE_CL1MP guard to cl1mp.cpp;
Added test for ex10


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9084 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-12-03 05:19:35 +00:00
Scott R Charlton
680b33c5ae moved AC_PROG_LIBTOOL above Fortran check; fixes an error that occurered when --disable-fortran was set that would inadvertently set 'build shared libraries' to no
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9053 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-11-07 06:17:53 +00:00
Scott R Charlton
90487d6329 added fwrap1.cpp to Makefile.am
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9052 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-11-07 06:03:19 +00:00
Scott R Charlton
7cb29335e3 minor reformatting; added some ignore directories; added missing RMimpl.h
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9033 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-11-03 23:44:04 +00:00
Scott R Charlton
2a4dff9a89 set svn:executable on scripts
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9028 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-10-31 05:00:02 +00:00
Scott R Charlton
bb774d3e77 seems that having padfstring receiving unsigned int fixes gfortran x64 problem
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9027 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-10-31 04:54:01 +00:00
David L Parkhurst
e7eacdd09c Made native
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9024 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-10-30 22:00:37 +00:00
Scott R Charlton
9a6cb18dbf changed all fortran string length parameters to be size_t
simplified fortran wrappers for windows


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9015 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-10-29 01:59:37 +00:00
Scott R Charlton
9b73f65b6d Updated project
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9011 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-10-27 21:33:00 +00:00
Scott R Charlton
58da41b950 Added AM_PROG_AR and removed defines PHREEQC_CPP and PHREEQC_CLASS
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@9007 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-10-23 23:51:00 +00:00
Scott R Charlton
0272550872 added test for correct exception handling
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8948 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-09-11 03:23:50 +00:00
Scott R Charlton
5bd2cae399 made catch(...) always rethrow;
changed catches to const references


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8905 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-08-05 02:42:09 +00:00
Scott R Charlton
60c7fdfe68 Use phrGetErrorStrings.valgrind-leak.R.in in place of phreeqc.R.in when executing
'make check' -> 'R CMD check --as-cran' which produces (cran/)phreeqc.Rcheck/phreeqc-Ex.R
and is checked in as leak-Ex.R (only includes the phrGetErrorStrings example).

run using:
R -d "valgrind --tool=memcheck --leak-check=full" --vanilla < leak-Ex.R

and running the full set of examples:
R -d "valgrind --tool=memcheck --leak-check=full" --vanilla < (cran/)phreeqc.Rcheck/phreeqc-Ex.R


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8844 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-15 03:49:34 +00:00
Scott R Charlton
167b08bfbb fixes valgrind memory leaks that occured when error/RF_error was called within a block containing implicit dtors; seems that R uses setjmp/longjmp to handle errors which produces undefined behavior under g++ see http://stackoverflow.com/questions/1376085/c-safe-to-use-longjmp-and-setjmp
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8843 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-15 03:36:38 +00:00
Scott R Charlton
d3537fae99 added valgrind target for memory leak detection
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8842 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-15 03:30:06 +00:00
Scott R Charlton
a5ad315911 added windows memory checker (must define WIN32_MEMORY_DEBUG in unit.vcproj and undef USE_PHRQ_ALLOC in IPhreeqc.vsprops)
no leaks

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8831 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-10 05:46:33 +00:00
Scott R Charlton
05f70fb8e7 new line at end of file
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8830 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-10 05:32:27 +00:00
Scott R Charlton
f520b61a58 TestIPhreeqcLib contains no leaks with WIN32_MEMORY_DEBUG defined
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8829 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-10 05:21:26 +00:00
Scott R Charlton
6be1451051 memory leak fix
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8828 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-10 04:57:31 +00:00
Scott R Charlton
b3cff55ac9 set but not used
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8826 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-09 23:52:45 +00:00
Scott R Charlton
4292284364 all tests passing (added "cell/soln/mix 1").
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8822 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-09 04:16:21 +00:00
Scott R Charlton
035c73c707 valgrind changes/set-but-unused vars
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8817 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-07-08 19:52:45 +00:00
Scott R Charlton
0e9ac7038c Added (+ file LICENSE) to DESCRIPTION.IN
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8809 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-06-27 05:04:21 +00:00
Scott R Charlton
0c02788a77 from Kurt Hornik <Kurt.Hornik@wu.ac.at>
Thanks.

Closer inspection reveals two more issues.

* Many files have

  * Copyright (c) 2002, The Regents of the University of California        *
  * Produced at the Lawrence Livermore National Laboratory                 *

That is not mentioned in the DESCRIPTION file, and hence fails to comply
with the Policy's

  The ownership of copyright and intellectual property rights of all
  components of the package must be clear and unambiguous (including
  from the authors specification in the DESCRIPTION file). Where code is
  copied (or derived) from the work of others (including from R itself),
  care must be taken that any copyright/license statements are preserved
  and authorship is not misrepresented.

  Where copyrights are held by an entity other than the authors, the
  Authors@R field can be used, or a Copyright field (if necessary
  referring to an inst/COPYRIGHTS file).

* The original license was

* Redistribution and use in source and binary forms, with or without     *
  * modification, are permitted provided that the following conditions     *
  * are met:                                                               *
  *                                                                        *
  * 1. Redistributions of source code must retain the above copyright      *
  * notice, this list of conditions and the disclaimer below.              *
  *                                                                        *
  * 2. Redistributions in binary form must reproduce the above copyright   *
  * notice, this list of conditions and the disclaimer (as noted below)    *
  * in the documentation and/or other materials provided with the          *
  * distribution.                                                          *
  *                                                                        *
  * 3. Neither the name of the UC/LLNL nor the names of its contributors   *
  * may be used to endorse or promote products derived from this software  *
  * without specific prior written permission.                             *
  *                                                                        *
  * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS    *
  * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT      *
  * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS      *
  * FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE         *
  * REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE U.S. DEPARTMENT OF ENERGY *
  * OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,        *
  * SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT       *
  * LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,  *
  * DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY  *
  * THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT    *
  * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE  *
  * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.   *

and we would guess that clauses 2 and 3 are not covered by basic GPL-3,
and hence needs this to be restricted.

So to be on the safe side, you should use

   GPL-3 + file LICENSE

with file LICENSE explaining that certain parts are covered by the above
license, and then give the license.

Best

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8808 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-06-27 05:01:49 +00:00
David L Parkhurst
3ce26dc3eb source to src
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8798 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-06-24 19:28:20 +00:00
David L Parkhurst
ce505c3933 MakeItSo Makefiles
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8796 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-06-24 18:42:07 +00:00
Scott R Charlton
fef8a69b0d From Uwe Ligges<ligges@statistik.tu-dortmund.de> 6/6/2014
ligges@statistik.tu-dortmund.de

After internal discussion:

Assuming that SUNDIALS is really BSD-3-clause (please confirm):


1. BSD-3-clause is known to be compatible with GPL-3.

2. You LICENSE template is perhaps not appropriate, as it
only relates to the foreign code.

3. What we need is one license for the package which could be GPL-3 given your LICENSE.note and our interpretation is correct, but we do not give legal advice here.

So we think the only reasonable solution is to have the package under
  GPL-3 only.  I.e.,

     License: GPL-3

  and then remove files LICENSE and LICENSE.note.
But be careful to kep all copyright statement and really list all the authors of the material included in your package.

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8780 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-06-10 00:04:50 +00:00
Scott R Charlton
aa8d3d7782 Added gpl-2 and gpl-3 to licenses; added LICENSE.note
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8779 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-06-04 22:18:20 +00:00
Scott R Charlton
ca34964754 added missing paren and realigned
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8740 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-05-09 22:39:48 +00:00
Scott R Charlton
fe751539a1 added module paper
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8739 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-05-09 22:30:54 +00:00
David L Parkhurst
7904c319aa Changed description, authorship
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8738 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-05-09 16:10:54 +00:00