Merge pull request #415 from radis/develop

0.12

.gitignore

@@ -27,7 +27,7 @@ __pycache__/
 *.py[cod]
 *.pyc
 *.c
-*.cpp
+radis/cython/*.cpp
 
 # IPython notebook checkpoints
 *-checkpoint.ipynb
@@ -40,6 +40,7 @@ __pycache__/
 env/
 build/
 develop-eggs/
+develop-tests/
 dist/
 eggs/
 lib/

.travis.yml

@@ -2,7 +2,7 @@ language: python
 python:
   # We don't actually use the Travis Python, but this keeps it organized.
   #- "2.7"    # not tested anymore starting from 0.9.19
-  - "3.7"
+  - "3.8"
 os: linux
 
 stages:
@@ -38,8 +38,9 @@ jobs:
         - conda env create -n radis-env -f environment.yml
         # Activate and install test-only dependencies
         - source activate radis-env
+        - conda list
         - pip install pytest-cov
-        - python setup.py install
+        - pip install -e . -v
 
       script:
         # Your test script goes here

MANIFEST.in

@@ -1,6 +1,8 @@
 include README.rst
 include LICENSE
 include radis/__version__.txt
+include radis/lbl/gpu.cpp
+include radis/lbl/gpu.h
 include radis/phys/units.txt
 include radis/test/files/*.txt
 include radis/test/files/*.spec

README.rst

@@ -93,6 +93,39 @@ Typical output of `plot_diff <https://radis.readthedocs.io/en/latest/source/radi
 Refer to the `Examples <https://radis.readthedocs.io/en/latest/examples/examples.html>`__ section for more examples, and to the
 `Spectrum page <https://radis.readthedocs.io/en/latest/spectrum/spectrum.html>`__ for more post-processing functions.
 
+
+GPU Acceleration
+----------------
+
+RADIS supports GPU acceleration for super-fast computation of spectra:
+
+    from radis import SpectrumFactory
+    from radis.tools.plot_tools import ParamRange
+
+    sf = SpectrumFactory(
+        2100,
+        2400,  # cm-1
+        molecule="CO2",
+        isotope="1,2,3",
+        wstep=0.002,
+    )
+
+    sf.fetch_databank("hitemp")
+
+    s = sf.eq_spectrum_gpu_interactive(
+        var="radiance",
+        Tgas=ParamRange(300.0, 2500.0, 1100.0),  # K
+        pressure=ParamRange(0.1, 2, 1),  # bar
+        mole_fraction=ParamRange(0, 1, 0.8),
+        path_length=ParamRange(0, 1, 0.2),  # cm
+        slit_FWHM=ParamRange(0, 1.5, 0.24),  # cm-1
+        emulate=False,  # runs on GPU
+        plotkwargs={"nfig": "same", "wunit": "nm"},
+    )
+
+.. image:: https://raw.githubusercontent.com/dcmvdbekerom/radis/gpu_widget_new_branch/docs/examples/GPU_spectrum.png
+
+Refer to :ref:`GPU Spectrum Calculation on RADIS <label_radis_gpu>` for more details on GPU acceleration.
 ---------------------------------------------------------------------
 
 =======================================

docs/PULL_REQUEST_TEMPLATE.md

@@ -11,4 +11,4 @@ If you replace <Issue Number> with a number, GitHub will automatically link it.
 If this pull request is unrelated to any issues, please remove
 the following line. -->
 
-Fixes #<Issue Number>
+Fixes #<Issue Number>

docs/_templates/layout.html

@@ -13,4 +13,4 @@
 
   </script>
 
-{% endblock %}
+{% endblock %}

docs/_templates/searchbox.html

@@ -0,0 +1,15 @@
+<div>
+   <h3>{{ _('Quick search') }}</h3>
+   <script>
+      (function() {
+         var cx = '011868766723427137892:jpmxeesvyix';
+         var gcse = document.createElement('script');
+         gcse.type = 'text/javascript';
+         gcse.async = true;
+         gcse.src = 'https://cse.google.com/cse.js?cx=' + cx;
+         var s = document.getElementsByTagName('script')[0];
+         s.parentNode.insertBefore(gcse, s);
+      })();
+   </script>
+  <gcse:search></gcse:search>
+</div>

docs/conf.py

@@ -84,7 +84,7 @@
 
 
 def linkcode_resolve(domain, info):
-    """ for sphinx.ext.linkcode"""
+    """for sphinx.ext.linkcode"""
     if domain != "py":
         return None
     if not info["module"]:

docs/dev/_architecture.rst

@@ -38,7 +38,7 @@ are the input parameters of the different RADIS front-ends:
 
 -------------------------------------------------------------------------
 
-The Input databases are either automatically downloaded from [HITRAN-2016]_, or defined
+The Input databases are either automatically downloaded from [HITRAN-2020]_, or defined
 locally in a :ref:`Configuration file <label_lbl_config_file>`
 
 -------------------------------------------------------------------------

docs/features/description.rst

@@ -1,7 +1,7 @@
 Description
 ===========
 
-Written as a general purpose radiative solver, the code is built around the [HITRAN-2016]_,
+Written as a general purpose radiative solver, the code is built around the [HITRAN-2020]_,
 [HITEMP-2010]_ and [CDSD-4000]_ databases for molecules in their electronic ground state. Energy
 levels are read from tabulated databases or calculated from Dunham developments.
 Boltzmann, Treanor, and state specific vibrational distributions can be generated.

docs/features/features.rst

@@ -13,9 +13,9 @@ RADIS is both an infrared :ref:`line-by-line code <label_line_by_line>`
 and a :ref:`post-processing library <label_spectrum>`.
 It includes:
 
-- Absorption and emission spectra of all [HITRAN-2016]_ and [ExoMol-2020]_ species under equilibrium calculations (:py:data:`~radis.db.MOLECULES_LIST_EQUILIBRIUM`)
+- Absorption and emission spectra of all [HITRAN-2020]_ and [ExoMol-2020]_ species under equilibrium calculations (:py:data:`~radis.db.MOLECULES_LIST_EQUILIBRIUM`)
 - Absorption and emission spectra of CO2 and CO for non-LTE calculations (see :py:data:`~radis.db.MOLECULES_LIST_NONEQUILIBRIUM` )
-- Different Line Databases: support of [HITRAN-2016]_, [HITEMP-2010]_ and [CDSD-4000]_ line databases (see :py:data:`~radis.lbl.loader.KNOWN_DBFORMAT`)
+- Different Line Databases: support of [HITRAN-2020]_, [HITEMP-2010]_ and [CDSD-4000]_ line databases (see :py:data:`~radis.lbl.loader.KNOWN_DBFORMAT`)
 - Calculation of :ref:`Rovibrational Energies of molecules <label_examples_rovibrational_energies>`.
 - Calculation of equilibrium and nonequilibrium :ref:`Partition Functions <label_examples_partition_functions>`.
 - Spatially heterogeneous spectra (see :ref:`see line-of-sight <label_los_index>`)
@@ -90,6 +90,7 @@ Line Databases
 List of supported line databases formats: :py:data:`~radis.lbl.loader.KNOWN_DBFORMAT` :
 
 - [HITRAN-2016]_
+- [HITRAN-2020]_
 - [HITEMP-2010]_
 - [CDSD-4000]_
 - [ExoMol-2020]_

docs/index.rst

@@ -37,7 +37,7 @@ Quick Start
 ===========
 
 
-Calculate a CO equilibrium spectrum from the [HITRAN-2016]_ database, using the
+Calculate a CO equilibrium spectrum from the [HITRAN-2020]_ database, using the
 :py:func:`~radis.lbl.calc.calc_spectrum` function. Lines are downloaded automatically
 using Astroquery (based on [HAPI]_). Output is a
 :ref:`Spectrum object <label_spectrum>`: ::
@@ -102,7 +102,7 @@ More examples
 .. minigallery:: radis.Spectrum
 
 
-The Quick Start examples automatically downloaded the line databases from [HITRAN-2016]_, which is valid for temperatures below 700 K.
+The Quick Start examples automatically downloaded the line databases from [HITRAN-2020]_, which is valid for temperatures below 700 K.
 For *high temperature* cases, you may need to use :ref:`other line databases <label_line_databases>` such as
 [HITEMP-2010]_ (typically T < 2000 K) or [CDSD-4000]_ (T < 5000 K). These databases must be described in a ``~/radis.json``
 :ref:`Configuration file <label_lbl_config_file>`.

docs/lbl/_databases.rst

@@ -17,7 +17,7 @@ Refer to :py:func:`~radis.io.query.fetch_astroquery` for more information.
 You can also download the HITRAN databases files locally:
 
 - HITRAN can be downloaded from https://hitran.org/lbl/. Expect
-  ~80 Mb for CO2, or 50 Mb for H2O. Cite with [HITRAN-2016]_.
+  ~80 Mb for CO2, or 50 Mb for H2O. Cite with [HITRAN-2020]_.
 
 .. note::