38 Commits

Author SHA1 Message Date
Ian Bell
40cbc70eb9 More annoying leak info
Caught a few true positives
2025-05-19 08:28:25 -04:00
Ian Bell
267d64533a Superancillaries for pure fluids (#2511)
* Expansions are fully wrapped, looking good. Next step is the set of expansions that is the 1D approximation

* Get 1D approx working via cython

* Count solutions

* SuperAncillary class is working

>1000x speedup for water
Time for C++!

* Superancillaries are working!

In C++, speedup is more than 2000x. In Python, more like 150x because of Python <-> C++ overhead

* Add pmax check for PQ superancillary calls

* Update tests

* Allow T limits to be obtained

* Implement get_fluid_parameter_double for getting superanc value

* Add tests for getting parameters from superanc

* Script for testing superancillaries for sphinx

* Microoptimizations; don't help speed

The limiting factor remains the clear function, which takes about 30 ns

* Add R125 superancillary

* Use the release from fastchebpure for the files

* Drop a .gitignore in the unzipped folder

* Update superancillary injection script

* Turn on superancillaries by default

* Missing header

* Many int conversions in superancillary

* Another int cast

* More annoying solution for boost iter max

* Fix warnings

* One more warning

* Clear up the calculation of rho

* Update docs_docker-build.yml

Use arm64 since the containers were built on mac

* Superfluous ;

* Update backend.py

* Get the critical points working for superancillaries

* Fix wrapping changes of xmin&xmax methods

* squelch warnings

* Version 0 of jupyter notebook for docs

* Try to add the notebook to the docs

* Add jupyter notebook for superancillary

* Lots of updates to superancillary notebook

* More updates to docs

* Skip pseudo-pure for superancillary docs

* Fix output of superancillary figures

* Add superancillary plots to docs for the page for each fluid

* Make a placeholder figure for fluids without superancillary

* Add superancillary plots to task list

* Bump to release fixing m-xylene

* Relax the location of the REFPROP stuff

* Change default name for R-1336mzz(E)

* No need for figures to be so large

* Don't need REFPROP setting

* Bump to fastchebpure release with methanol

* Benchmark caching options

* Benchmark more granularly

* Add the fast methods to public API for HEOS class

* Back to memset - can memset with 0 but no other value

* Fix how caching is managed in Helmholtz class

* Close to final implementation

Perhaps a tiny bit more optimization possible?

* Update function name

* Make message more accurate

* Fix init order

* Expose update_QT_pure_superanc to Python

* Fix when _reducing is set for pures

* Fix the post_update

* Indent

* Notebook

* Notebook

* Make ln(p) construction lazy

Only really matters for debug builds

* Also make reference non-const

* Inject superancillary for methanol

* Make the superancillary loading entirely lazy in debug

* Fix PH bug for Nitrogen

 Closes #2470

* Force the clear to be called on SatL and SatV

To invalidate them at start

* Default is non-lazy superancillary loading

* Add CMake option to have lazy-loading superancillaries [skip ci]

Not a good idea unless doing very narrow testing
2025-05-17 20:27:19 -04:00
Ian Bell
d60f51aca8 version is deprecated in docker-compose 2025-05-17 11:47:43 -04:00
Ian Bell
746285e566 Add valgrind files 2025-05-17 11:00:00 -04:00
Ian Bell
a0325820c9 Add workaround note for arch 2025-05-11 19:59:50 -04:00
Ian Bell
75a3bb0edd Docker container for archlinux tester 2025-05-11 19:27:10 -04:00
Ian Bell
1795a1c2f0 Add imagemagick (and jupyter things) to docker container 2025-04-21 14:17:01 -04:00
Ian Bell
8a1b1f8bca Jump to python 3.13 for doc builder 2025-04-06 21:35:14 -04:00
Ian Bell
855293c4ce Add pickleshare and nbsphinx to container 2025-04-06 21:16:55 -04:00
Ian Bell
0a41d0d876 jinja2 is now no longer allowed to be < 3.0 by sphinx.
Patch cloud_sptheme, no longer being developed
2025-04-06 14:50:23 -04:00
Ian Bell
c0d5ecb7a4 Add note about how to get the right token 2025-04-06 09:16:26 -04:00
Ian Bell
9891a1df3a Update Dockerfile for doc base image 2025-04-05 08:32:10 -04:00
Ian Bell
a19e69662f Update msgpack-c and selectively add boost (#2450)
(like was done in teqp)
2024-12-07 13:06:49 -05:00
Jorrit Wronski
2841dfe217 Build the docs for v6.4.2 (#2191)
- Streamlined the build of the HTML documentation based on a private docker image.
- Invoke doxygen and Sphinx to create the final HTML pages.
- Employ a cache for the GitHub actions to store the output of the expensive tasks.
- Restructured the GitHub actions builders and introduced a naming scheme.
- Fixed a few typos in the docs.
- Automatically publish the documentation to GitHub pages.
2022-12-07 11:55:16 +01:00
Jorrit Wronski
35e5914581 Removed the Dockerfiles and added a new test builder for the docs 2015-10-29 23:22:43 +01:00
Jorrit Wronski
f18b71d26e Fixed a password leak in the docker log files. All affected passwords are changed. 2015-10-12 12:14:40 +02:00
Jorrit Wronski
3b32252a4c Added requests library to dockerfiles 2015-10-12 00:06:55 +02:00
Jorrit Wronski
c8ea0a07ba New entryfile with hints 2015-10-12 00:03:49 +02:00
Jorrit Wronski
7d2953c8ad Removed unused templates and scripts 2015-10-11 23:38:14 +02:00
Jorrit Wronski
85c19e4c13 Rewrote the files by hand and changed the inheritance structure 2015-10-11 23:12:06 +02:00
Jorrit Wronski
59e3624a52 Added more docs and modified the base image 2015-10-11 22:30:52 +02:00
Jorrit Wronski
cb952a03fb Added web builder 2015-10-11 16:12:59 +02:00
Jorrit Wronski
c6832ea193 Added some more documentation and move the entrypoint 2015-10-11 14:06:10 +02:00
Jorrit Wronski
3173fbfe3b Switching to Debian stable 2015-10-11 13:53:23 +02:00
Jorrit Wronski
2826230133 Relative location for entrypoint 2015-10-11 13:45:56 +02:00
Jorrit Wronski
9efad4cfd4 Moved dockerfile to new directory 2015-10-11 13:42:58 +02:00
Jorrit Wronski
0b09f5261e Added Dockerfiles for automatic builds on docker hub. 2015-10-11 13:34:52 +02:00
Jorrit Wronski
f3c8f24e47 Added more minor adjustments 2015-10-11 00:26:54 +02:00
Jorrit Wronski
089d0a4684 Added new dir and todos 2015-10-09 08:25:12 +02:00
Jorrit Wronski
10d8a749a2 Added rsync, still missing a way to integrate the ssh keys 2015-10-09 07:43:43 +02:00
Jorrit Wronski
1f5dde082b Added a little documentation and fixed an issue with bash 2015-10-09 00:28:15 +02:00
Jorrit Wronski
307d7a0bcd Testing with new entrypoint and environment variables 2015-10-09 00:03:28 +02:00
Jorrit Wronski
d92ad3dbc2 Testing with new entrypoint and environment variables 2015-10-09 00:03:12 +02:00
Jorrit Wronski
6d97c5bba9 Added hints for the shell commands 2015-10-08 23:00:45 +02:00
Jorrit Wronski
64b8777a38 Added conda clean options 2015-10-08 22:50:34 +02:00
Jorrit Wronski
2db75b0003 Fixed some conda code 2015-10-08 08:40:44 +02:00
Jorrit Wronski
2f19352d25 Added more docker images 2015-10-08 08:22:41 +02:00
Jorrit Wronski
1597abd75d Started work on docker image, might move to conda later 2015-10-08 00:55:26 +02:00