rafatahmed · Oct 23, 2026 · Oct 23, 2026 · Oct 23, 2026
diff --git a/.github/workflows/publish.yml b/.github/workflows/publish.yml
@@ -67,7 +67,7 @@ jobs:
     strategy:
       fail-fast: true
       matrix:
-        python-version: ["3.11", "3.12", "3.13"]
+        python-version: ["3.11", "3.12", "3.13", "3.14"]
     steps:
       - uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1 # v7.0.1
         with:

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
@@ -15,7 +15,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ["3.11", "3.12", "3.13"]
+        python-version: ["3.11", "3.12", "3.13", "3.14"]
     steps:
       - uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1 # v7.0.1
       - uses: actions/setup-python@5fda3b95a4ea91299a34e894583c3862153e4b97 # v7.0.0

diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -2,6 +2,7 @@
 
 ## Unreleased
 
+- Package identity and attribution (owner decisions 2026-10-23). Metadata: author Rafat A. Al Khashan with public contact email, maintainers Rafat A. Al Khashan and Flaha Agri Tech (affiliation), a description that names the grower command and the A/B stock planning, fuller keywords, Development Status 4 - Beta, Console and end-user audiences, Python 3.14 (now also in CI), and Changelog, Citation and Growers-guide links. NOTICE now credits every data source the package ships (USGS PHREEQC 3.8.6 minteq.v4.dat and pitzer.dat, the FlahaX chelate and phase extensions, McCleskey et al. 2012, Pethybridge et al. 2006, the CRC Handbook, Yara, the U.S. Coast Guard CHRIS database, Haifa, Sigma-Aldrich, ChemicalBook, SQM and the crop-formula authors) and reproduces the USGS User Rights Notice, which applies to PHREEQC data: it requires modified data to say what changed, by whom and when, so chemistry_25c.json and NOTICE now carry that statement (the sylvite constant, from pitzer.dat, was not credited before). CITATION.cff gains a current abstract, release date, affiliation, contact and a references list checked against Crossref. The README gains an Author and credits section; `tests/test_attribution.py` fails if a shipped data source is not credited. Zenodo archiving is documented as an owner step in the publishing procedure.
 - Fix what the pre-release sweep of `flahax mix` found (19 farmer sessions, each checked across terminal, sheet at every depth and report): an unknown acid formula ('1') was accepted and the acid then silently ignored, so the plan said none was offered (#112); `flahax mix` now asks again and `flahax batch --acid` stops with the list of acids FlahaX plans with (HNO3, H3PO4, H2SO4, C6H8O7; any case). A blocked pH plan repeated its review notes (#113): a chemistry review row or advisory is listed only when not already said. A changed or new formula was titled with its file name (#114): the name typed is kept in the session and used as the title.
 - Every output of one batch now agrees (#107-#110), found by generating the owner's session at all three depths. The agronomist sheet's pH path and the report's 'go from pH' used the first recipe's pH (6.71) while the report's chemistry used the weighed recipe (7.93), whose nitrate salts are reduced by the acid's nitrate: all now show the weighed recipe mixed without its reagent (`summary['ph']['mixed_ph']`), and the report also names the first recipe's pH. Weights and acid volumes use one format on the terminal, sheet and report (no more '0' weights or 86 vs 85.7 mL); each warning appears once (the pH stage no longer repeats the review rows and the iron(II) advisory); the report shows '1:100' and the status in words. A new test (`tests/test_output_consistency.py`) runs the owner's session once and checks every shared number across terminal, sheet at each depth, report and summary. Recipes and chemistry are unchanged.
 - `flahax mix` finds a saved session by the name you typed (spaces, capitals, with or without `sessions/`), `flahax mix sessions` lists them, and a miss lists them too; small weights show 2-3 decimals and never read '0 g'; in fill mode the outputs say which container sets the batch ('your 10 L acid container sets the batch') (#105).

diff --git a/CITATION.cff b/CITATION.cff
@@ -1,40 +1,217 @@
 cff-version: 1.2.0
-message: "If you use FlahaX, please cite it as below."
+message: "If you use FlahaX, please cite it as below, and credit the data sources listed under references."
 title: "FlahaX: plant-nutrient chemistry engine for fertilizer formulation and delivery planning"
 abstract: >-
-  FlahaX is a Python package for plant nutrition. It chooses fertilizer salts
-  and grams so that a fixed crop formula, after subtraction of the source
-  water, is met; models the resulting solution with fertilizer-specific
-  aqueous equilibrium chemistry (speciation, precipitation and pH); plans the
-  acid dose to a target pH; and plans stock tanks and injection with
-  auditable units, model identifiers and source hashes. Chemistry results are
-  verified against PHREEQC.
+  FlahaX turns a water analysis, a crop formula and the fertilizers at hand
+  into a batch: the fertilizer recipe, the calculated pH, the acid-adjusted
+  recipe and the A/B stock tanks to prepare. Growers and agronomists use the
+  interactive `flahax mix` command; developers use the Python API. Underneath,
+  it chooses fertilizer grams by non-negative least squares so the crop
+  formula is met after the water's contribution; models the solution with
+  fertilizer-specific aqueous equilibrium chemistry (speciation, saturation
+  and pH) at the water's measured pH; plans the acid or base dose to a
+  target pH with the reagent's nutrients counted; groups products into two
+  concentrate tanks and checks their solubility; and records units, sources
+  and hashes for audit. Materials are defined by formula, ions or label
+  analysis. Chemistry is checked against PHREEQC 3.8.6. Pure Python, no
+  runtime dependencies.
 type: software
 authors:
   - family-names: Al Khashan
     given-names: Rafat A.
+    email: rafat.khashan82@gmail.com
+    affiliation: Flaha Agri Tech
     orcid: https://orcid.org/0009-0009-4692-4552
+  - name: Flaha Agri Tech
+contact:
+  - family-names: Al Khashan
+    given-names: Rafat A.
+    email: rafat.khashan82@gmail.com
+    affiliation: Flaha Agri Tech
 version: 0.5.0
-url: https://pypi.org/project/flahax/
+date-released: "2026-10-20"
+url: https://flahax.readthedocs.io/
 repository-code: https://github.com/rafatahmed/Flahax
+repository-artifact: https://pypi.org/project/flahax/
 license: Apache-2.0
 keywords:
   - fertilizer
+  - fertigation
   - hydroponics
   - nutrient solution
-  - formulation
-  - non-negative least squares
-  - fertigation
-  - aqueous equilibrium
   - plant nutrition
+  - agronomy
+  - stock solution
+  - pH
+  - acid dosing
+  - water analysis
+  - aqueous equilibrium
+  - speciation
+  - non-negative least squares
+  - PHREEQC
 preferred-citation:
   type: software
   title: "FlahaX: plant-nutrient chemistry engine for fertilizer formulation and delivery planning"
   authors:
     - family-names: Al Khashan
       given-names: Rafat A.
+      affiliation: Flaha Agri Tech
       orcid: https://orcid.org/0009-0009-4692-4552
   year: 2026
   version: 0.5.0
   url: https://pypi.org/project/flahax/
+  repository-code: https://github.com/rafatahmed/Flahax
   license: Apache-2.0
+references:
+  - type: report
+    title: >-
+      Description of input and examples for PHREEQC version 3: A computer
+      program for speciation, batch-reaction, one-dimensional transport, and
+      inverse geochemical calculations
+    authors:
+      - family-names: Parkhurst
+        given-names: David L.
+      - family-names: Appelo
+        given-names: C. A. J.
+    year: 2013
+    institution:
+      name: U.S. Geological Survey
+    collection-title: Techniques and Methods 6-A43
+    doi: 10.3133/tm6A43
+    notes: >-
+      Thermodynamic constants from the PHREEQC 3.8.6 databases minteq.v4.dat
+      and pitzer.dat (U.S. Geological Survey), converted and modified for
+      FlahaX; the USGS User Rights Notice is reproduced in NOTICE.
+  - type: database
+    title: "MINTEQA2 version 4 thermodynamic database (minteq.v4.dat)"
+    authors:
+      - name: U.S. Environmental Protection Agency
+    notes: Origin of the minteq.v4.dat constants distributed with PHREEQC.
+  - type: article
+    title: "A new method of calculating electrical conductivity with applications to natural waters"
+    authors:
+      - family-names: McCleskey
+        given-names: R. Blaine
+      - family-names: Nordstrom
+        given-names: D. Kirk
+      - family-names: Ryan
+        given-names: Joseph N.
+      - family-names: Ball
+        given-names: James W.
+    year: 2012
+    journal: Geochimica et Cosmochimica Acta
+    volume: 77
+    start: 369
+    end: 382
+    doi: 10.1016/j.gca.2011.10.031
+    notes: Conductivity coefficients (Table 1) in conductivity_mccleskey2012.json.
+  - type: article
+    title: "Precise Conductance Measurements on Dilute Aqueous Solutions of Sodium and Potassium Hydrogenphosphate and Dihydrogenphosphate"
+    authors:
+      - family-names: Pethybridge
+        given-names: A. D.
+      - family-names: Talbot
+        given-names: J. D. R.
+      - family-names: House
+        given-names: W. A.
+    year: 2006
+    journal: Journal of Solution Chemistry
+    volume: 35
+    start: 381
+    end: 393
+    doi: 10.1007/s10953-005-9003-z
+    notes: Phosphate conductance, Table IV.
+  - type: article
+    title: "Struvite precipitation thermodynamics in source-separated urine"
+    authors:
+      - family-names: Ronteltap
+        given-names: Mariska
+      - family-names: Maurer
+        given-names: Max
+      - family-names: Gujer
+        given-names: Willi
+    year: 2007
+    journal: Water Research
+    volume: 41
+    start: 977
+    end: 984
+    doi: 10.1016/j.watres.2006.11.046
+    notes: Struvite solubility product used by FlahaX.
+  - type: article
+    title: >-
+      Chelating Agents Related to Ethylenediamine Bis(2-hydroxyphenyl)acetic
+      Acid (EDDHA): Synthesis, Characterization, and Equilibrium Studies of the
+      Free Ligands and Their Mg2+, Ca2+, Cu2+, and Fe3+ Chelates
+    authors:
+      - family-names: Yunta
+        given-names: Felipe
+      - family-names: García-Marco
+        given-names: Sonia
+      - family-names: Lucena
+        given-names: Juan J.
+      - family-names: Gómez-Gallego
+        given-names: Mar
+      - family-names: Alcázar
+        given-names: Roberto
+      - family-names: Sierra
+        given-names: Miguel A.
+    year: 2003
+    journal: Inorganic Chemistry
+    volume: 42
+    start: 5412
+    end: 5421
+    doi: 10.1021/ic034333j
+    notes: o,o-EDDHA profile; see docs/site/models/flahax-chelate-thermodynamic-profile.md.
+  - type: database
+    title: "NIST Critically Selected Stability Constants of Metal Complexes (SRD 46)"
+    authors:
+      - name: National Institute of Standards and Technology
+      - family-names: Smith
+        given-names: R. M.
+      - family-names: Martell
+        given-names: A. E.
+    notes: DTPA stability-data family.
+  - type: book
+    title: "CRC Handbook of Chemistry and Physics"
+    authors:
+      - name: CRC Press
+    editors:
+      - family-names: Lide
+        given-names: David R.
+    notes: >-
+      Aqueous solubility of inorganic compounds at various temperatures
+      (pp. 8-112 to 8-117; 18 products in solubility.json) and ionic
+      conductivity at infinite dilution (85th ed.).
+  - type: generic
+    title: "YaraTera CALCINIT product sheet; Fertilizantes para fertirrigacion (pp. 63, 65)"
+    authors:
+      - name: Yara
+    notes: Calcium nitrate solubility; concentrate-tank compatibility rules.
+  - type: database
+    title: "CHRIS / CAMEO Chemicals: Urea (URE)"
+    authors:
+      - name: U.S. Coast Guard
+      - name: NOAA
+    notes: Urea solubility (item 9.24).
+  - type: generic
+    title: "Supplier technical data sheets for catalogue product assays"
+    authors:
+      - name: Haifa Group
+      - name: Sigma-Aldrich
+      - name: ChemicalBook
+      - name: SQM
+    notes: Product assays (library.json) and Ultrasol EC anchors (calculated_ec.py).
+  - type: generic
+    title: "Published crop nutrient formulas in the FlahaX formula library"
+    authors:
+      - name: Howard Resh
+      - name: Douglas Peckenpaugh
+      - name: University of Florida
+      - name: maximumyield
+      - name: Growing Edge
+      - name: schundler.com
+      - family-names: Hoagland
+        given-names: D. R.
+      - family-names: Arnon
+        given-names: D. I.
+    notes: Formula names in library.json record their source.
diff --git a/NOTICE b/NOTICE
@@ -8,5 +8,130 @@ Licensed under the Apache License, Version 2.0. Redistributions and
 derivative works must retain this NOTICE file, as section 4(d) of the
 license requires.
 
+Author and maintainer: Rafat A. Al Khashan <rafat.khashan82@gmail.com>,
+ORCID https://orcid.org/0009-0009-4692-4552. Organisation: Flaha Agri Tech.
+
 If you use FlahaX in published work, please cite it as described in
 CITATION.cff.
+
+
+THIRD-PARTY DATA
+================
+
+FlahaX ships numerical data from the sources below. Each value keeps its
+citation in the data file named. Numerical facts are cited, not relicensed:
+the Apache-2.0 license covers FlahaX's code and its own compilation, not the
+underlying measurements.
+
+1. USGS PHREEQC 3.8.6 thermodynamic data (src/flahax/data/chemistry_25c.json)
+   - 205 aqueous species, phases and equilibrium constants at 25 C from the
+     database minteq.v4.dat, distributed with PHREEQC by the U.S. Geological
+     Survey (source pinned by SHA-256
+     ab0a8f7c7375e1bd997990f4bc3a9af497516f10e57f4aaa3cefb55dccac5ae7,
+     https://github.com/usgs-coupled-subtrees/phreeqc3-database/blob/master/minteq.v4.dat).
+     minteq.v4.dat derives from the U.S. EPA MINTEQA2 version 4 database.
+   - Phase constants for kieserite (log K -0.123) and sylvite (log K 0.9)
+     from the PHREEQC 3.8.6 database pitzer.dat.
+   - MODIFICATIONS: these records are not the original files. Rafat A. Al
+     Khashan converted the 25 C constants to JSON for FlahaX (first
+     committed 2026-09-27), keeping only the species and phases FlahaX
+     uses, and added FlahaX extensions marked in the file by their own
+     "source" field (flahax-chelates-25c.dat, flahax-phases-25c.dat). The
+     original database is available from the USGS at the URL above.
+   - The USGS User Rights Notice for PHREEQC applies to this data and is
+     reproduced in full at the end of this file.
+   - Please acknowledge: Parkhurst, D. L. and Appelo, C. A. J. (2013)
+     Description of input and examples for PHREEQC version 3, U.S.
+     Geological Survey Techniques and Methods 6-A43, doi:10.3133/tm6A43;
+     and the USGS.
+
+2. FlahaX thermodynamic extensions (chemistry_25c.json, source fields
+   flahax-chelates-25c.dat and flahax-phases-25c.dat)
+   - Struvite: Ronteltap, Maurer and Gujer (2007), Water Research 41,
+     977-984, doi:10.1016/j.watres.2006.11.046.
+   - o,o-EDDHA: Yunta et al. (2003), Inorganic Chemistry 42, 5412-5421,
+     doi:10.1021/ic034333j.
+   - DTPA: Smith and Martell critical stability constants and NIST SRD 46.
+   Details: docs/site/models/flahax-chelate-thermodynamic-profile.md.
+
+3. Electrical conductivity (src/flahax/data/conductivity_mccleskey2012.json)
+   - McCleskey, Nordstrom, Ryan and Ball (2012), Geochimica et
+     Cosmochimica Acta 77, 369-382, doi:10.1016/j.gca.2011.10.031, Table 1.
+   - Pethybridge, Talbot and House (2006), Journal of Solution Chemistry
+     35, 381-393, doi:10.1007/s10953-005-9003-z, Table IV.
+   - CRC Handbook of Chemistry and Physics, 85th ed., Vanysek, Ionic
+     conductivity and diffusion at infinite dilution; PHREEQC phreeqc.dat
+     diffusion coefficients.
+   - Manufacturer EC anchors (src/flahax/calculated_ec.py): SQM, Ultrasol
+     Macronutrients brochure, page 2.
+
+4. Stock solubility (src/flahax/data/solubility.json, owner-approved
+   2026-10-23)
+   - CRC Handbook of Chemistry and Physics (ed. D. R. Lide), Aqueous
+     Solubility of Inorganic Compounds at Various Temperatures,
+     pp. 8-112 to 8-117 (18 products).
+   - Yara, YaraTera CALCINIT product sheet (calcium nitrate, ag grade).
+   - U.S. Coast Guard CHRIS / NOAA CAMEO Chemicals, Urea (URE), item 9.24.
+
+5. Fertilizer catalogue and identities (src/flahax/data/library.json,
+   material_identities.json)
+   - Product assays from supplier documents named in each record: Haifa
+     Group (Haifa Cal NG technical data sheet), Sigma-Aldrich (ACS reagent
+     specifications), ChemicalBook technical data sheets.
+   - Chemical identities and theoretical analyses: FlahaX materials audit,
+     docs/audit/2026-10-18-materials-identity.
+
+6. Concentrate-tank compatibility (src/flahax/tank_grouping.py)
+   - Yara, Fertilizantes para fertirrigacion, p. 65 mixing compatibility
+     table and p. 63 mixing rules.
+
+7. Crop formulas (src/flahax/data/library.json, "formulas")
+   - Published nutrient formulas as named in the library: Howard Resh;
+     Douglas Peckenpaugh; maximumyield; Growing Edge; University of
+     Florida; schundler.com; and the Hoagland solution (Hoagland and Arnon).
+
+Trademarks (YaraLiva, YaraTera, Calcinit, Krista, Ultrasol, Haifa) belong
+to their owners and are used only to identify sources.
+
+
+USGS USER RIGHTS NOTICE (PHREEQC, applies to the data in item 1)
+================================================================
+
+This software and related material (data and (or) documentation),
+contained in or furnished in connection with PHREEQC, are made available
+by the U.S. Geological Survey (USGS) to be used in the public interest
+and in the advancement of science.  You may, without any fee or cost,
+use, copy, modify, or distribute this software, and any derivative works
+thereof, and its supporting documentation, subject to the following
+restrictions and understandings.
+
+If you distribute copies or modifications of the software and related
+material, make sure the recipients receive a copy of this notice and
+receive or can get a copy of the original distribution.  If the software
+and (or) related material are modified and distributed, it must be
+made clear that the recipients do not have the original and they must
+be informed of the extent of the modifications.  For example, modified
+files must include a prominent notice stating the modifications made, the
+author of the modifications, and the date the modifications were made.
+This restriction is necessary to guard against problems introduced in the
+software by others, reflecting negatively on the reputation of the USGS.
+
+The software is public property and you therefore have the right to
+the source code, if desired.
+
+You may charge fees for distribution, warranties, and services provided
+in connection with the software or derivative works thereof.  The name
+USGS can be used in any advertising or publicity to endorse or promote
+any products or commercial entity using this software if specific
+written permission is obtained from the USGS.
+
+The user agrees to appropriately acknowledge the authors and the USGS
+in publications that result from the use of this software or in products
+that include this software in whole or in part.
+
+Although this software program has been used by the U.S. Geological
+Survey (USGS), no warranty, expressed or implied, is made by the USGS
+or the U.S. Government as to the accuracy and functioning of the
+program and related program material nor shall the fact of distribution
+constitute any such warranty, and no responsibility is assumed by the
+USGS in connection therewith.