4965 Commits

Author SHA1 Message Date
Max Lübke
486fc6d3cc bump version to 3.8.5 in CMakeLists.txt 2024-12-04 08:07:24 +00:00
Max Lübke
088e15b2c1 Merge tag 'v3.8.5' into 5-bump-to-upstream-version-3-8-5 2024-12-04 08:05:51 +00:00
Charlton, Scott R.
7e412da938 Updated Author metadata 2024-12-03 17:10:50 -07:00
Charlton, Scott R.
4783d83671 Changed http to https 2024-12-03 16:13:01 -07:00
Charlton, Scott R.
b392fb02f6 Updated phreeqc urls for R 2024-12-03 15:28:50 -07:00
Max Lübke
87e210752d Merge branch 'mdl/fixRunner' into 'poet'
Mdl/fix runner

See merge request naaice/iphreeqc!18
2024-12-03 10:35:13 +01:00
Max Lübke
7e370d8892 feat: add golemrunner executable and link with IPhreeqcPOET 2024-12-03 09:33:18 +00:00
Marco De Lucia
db0844599f add dolo.pqi 2024-12-03 09:55:15 +01:00
Max Lübke
90a2432f03 Merge branch '1-set-knobs-from-original-input-script-for-engines' into 'poet'
Resolve "Set knobs from original input script for Engines"

Closes #1

See merge request naaice/iphreeqc!19
2024-12-03 09:10:13 +01:00
Max Lübke
d19d0bc695 feat: integrate PhreeqcKnobs into PhreeqcMatrix; add getKnobs method and update Engine initialization 2024-12-03 08:07:15 +00:00
Max Lübke
863fb146c8 feat: add PhreeqcKnobs class for managing knob parameters; update CMakeLists.txt and add tests 2024-12-03 08:00:37 +00:00
Max Lübke
cb4a64efbb refactor: remove unused includes from PhreeqcMatrix.hpp and Phreeqc.h 2024-12-03 06:53:14 +00:00
Marco De Lucia
f6f89a1161 Fixed commit 2024-12-02 18:20:02 +01:00
Mike Taves
bf60c1ca9d Fix typos 2024-12-02 15:28:05 +13:00
Mike Taves
51eedbc27a Fix typos 2024-12-02 15:28:05 +13:00
Mike Taves
26ffbfee94 Fix typos 2024-12-02 15:28:05 +13:00
Mike Taves
a0ea2708e5 Fix typos 2024-12-02 15:28:05 +13:00
Mike Taves
8a45f9f23a Fix typos 2024-12-02 15:28:05 +13:00
Mike Taves
31af15ae73
Fix typos 2024-12-02 15:28:05 +13:00
Charlton, Scott R.
980068c1dc
Added Authors@R field 2024-11-22 15:45:14 -07:00
Charlton, Scott R.
f2a8c8ee70
Added README.md 2024-11-22 14:46:02 -07:00
Max Lübke
ca2289fd71 Merge branch 'ml/porting-poet-features' into 'poet'
Port features from POET into IPhreeqc

See merge request naaice/iphreeqc!17
2024-11-22 14:58:55 +01:00
Max Lübke
52493bf4f4 feat: add PhreeqcRunner class and integrate with PhreeqcMatrix; refactor constructors and update CMakeLists.txt 2024-11-22 13:57:13 +00:00
Max Lübke
64156134bd refactor: reorganize CMakeLists.txt to define source files and integrate testing 2024-11-22 13:57:13 +00:00
Max Lübke
1050a4e156 build: add devcontainer.json + Dockerfile
chore: remove unneeded build dir
2024-11-22 13:57:13 +00:00
Charlton, Scott R.
f849e9f29f
Changed http -> https 2024-11-21 15:15:08 -07:00
Charlton, Scott R.
cb1ebf2d7f
Added devel for macos and windows 2024-11-21 14:33:39 -07:00
Darth Vader
5286d9779b Squashed 'phreeqc3-examples/' changes from 8bf42359..09d4a0ba
09d4a0ba [phreeqc3] (NH4)2SO4 database update from Tony

git-subtree-dir: phreeqc3-examples
git-subtree-split: 09d4a0ba8e3de3165be534cfe76128a746b8e306
2024-11-21 00:30:07 +00:00
Darth Vader
51105d4518 Merge commit '5286d9779b0b7a7e46f43070248b68bb586fb6cc' 2024-11-21 00:30:07 +00:00
Darth Vader
11997540b7 Squashed 'database/' changes from 6ff8cfe3..1a221cd7
1a221cd7 (NH4)2SO4 database update from Tony

git-subtree-dir: database
git-subtree-split: 1a221cd778c932dbc43f6d7601a3e43985f3e935
2024-11-21 00:30:05 +00:00
Darth Vader
94d8708795 Merge commit '11997540b7baf54728361eab8f52495f61d84acb' 2024-11-21 00:30:05 +00:00
Charlton, Scott R
09d4a0ba8e [phreeqc3] (NH4)2SO4 database update from Tony 2024-11-20 17:25:39 -07:00
David Parkhurst
1a221cd778 (NH4)2SO4 database update from Tony 2024-11-20 14:49:09 -07:00
Darth Vader
efc186d887 Merge commit 'd7add6c470a3941ddca7923366c7b762e7ad095e' 2024-11-19 21:21:33 +00:00
Darth Vader
d7add6c470 Squashed 'phreeqc3-examples/' changes from 14217984..8bf42359
8bf42359 [phreeqc3] Updated outputs for 3.8.5

git-subtree-dir: phreeqc3-examples
git-subtree-split: 8bf423592e4a25662a9204d8da692f90dd6a4f45
2024-11-19 21:21:32 +00:00
Charlton, Scott R
8bf423592e [phreeqc3] Updated outputs for 3.8.5 2024-11-19 14:16:37 -07:00
Darth Vader
cb34d045ce Merge commit 'f8e7a9b6e3ec6398ed657c0c8355a3c66906115f' 2024-11-19 20:21:50 +00:00
Darth Vader
f8e7a9b6e3 Squashed 'phreeqc3-examples/' changes from 48e4f323..14217984
14217984 Re-encoded ex22 to utf-8

git-subtree-dir: phreeqc3-examples
git-subtree-split: 1421798482260cc1490c159749ca5554b3f4e391
2024-11-19 20:21:50 +00:00
Charlton, Scott R.
d6b0081a8b
Merge pull request #62 from scharlton2/61-cran-build-failing-due-to-non-ascii-examples
Re-encoded ex22 to utf-8
2024-11-19 13:17:19 -07:00
Charlton, Scott R
1421798482 Re-encoded ex22 to utf-8 2024-11-19 12:56:43 -07:00
Charlton, Scott R.
4507e96f79 Re-encoded ex22 to utf-8 2024-11-19 12:56:43 -07:00
Darth Vader
0014b5b0a5 Merge commit '3e1c0d11a21bedfeb288ed4a8737d0a9287e2e7f' 2024-11-19 01:18:44 +00:00
Darth Vader
048b92e3dd Merge commit '3e1c0d11a21bedfeb288ed4a8737d0a9287e2e7f' 2024-11-19 01:18:44 +00:00
Darth Vader
3e1c0d11a2 Squashed 'src/' changes from ce34aa5e..7bae85a3
7bae85a3 Merge commit '80bf22d292021bc23620baa144f0a685fa73a82f'
80bf22d2 Squashed 'phreeqcpp/' changes from b576c75..c369020
3fd5b896 59 compiler error on macos (#60)

git-subtree-dir: src
git-subtree-split: 7bae85a32f92ccc7ebb8e658fd4f4d16b20217c0
2024-11-19 01:18:43 +00:00
Darth Vader
80bf22d292 Squashed 'phreeqcpp/' changes from b576c75..c369020
c369020 59 compiler error on macos (#60)

git-subtree-dir: phreeqcpp
git-subtree-split: c369020dbdaee3179efad614d3e841ed4b470ccf
2024-11-19 01:17:49 +00:00
Darth Vader
7bae85a32f Merge commit '80bf22d292021bc23620baa144f0a685fa73a82f' 2024-11-19 01:17:49 +00:00
Charlton, Scott R.
8b2126270c 59 compiler error on macos (#60)
* Closes usgs-coupled/iphreeqc#59
2024-11-18 18:10:42 -07:00
Charlton, Scott R.
2c3c7334b7
59 compiler error on macos (#60)
* Closes usgs-coupled/iphreeqc#59
2024-11-18 18:10:42 -07:00
Charlton, Scott R
3fd5b896c9 59 compiler error on macos (#60)
* Closes usgs-coupled/iphreeqc#59
2024-11-18 18:10:42 -07:00
Darth Vader
21df9497a0 Squashed 'src/' changes from 57b3a6cd..ce34aa5e
ce34aa5e Merge commit '8184121c90728d5026fa0485302e4584a559ffd8'
8184121c Squashed 'phreeqcpp/' changes from f5587da..b576c75

git-subtree-dir: src
git-subtree-split: ce34aa5e05ddf53f5b3b7ae2240437d31a736f4a
2024-11-18 21:29:52 +00:00