update publish action (#58)

* add TS1 and TSMLT configuration to examples

* add new data sets for WACCM

* fix memory leak in tests

* add updated CFC cross section datasets

* run example test in sub folders

* copy data into example test folders

* reorganize temperature based cross section

* draft taylor series temperature parameterization

* add taylor series param test

* adjust grid merging logic

* finish BRONO2 config and tests

* fix MPI code

* draft burkholder parameterization and tests

* add range override to quantum yields

* finish HO2NO2 config and tests

* update TSMLT config example

* fix example configurations

* fix ch4 example config

* add ch3cl data set and configuration

* add SO2 data set

* Updates and tests for O2 photolysis (#38)

* stub test of LUT LA-SRB calcs

* update lasrb test conditions

* add od and xs calcs to LUT LA-SRB test

* fix memory issues in tests

* finish LA-SRB LUT comparison test

* Add H2SO4 and NO datasets, configurations, and algorithms for WACCM (#41)

* draft h2so4 quantum yield and test

* add h2so4 qy test

* add data and config for H2SO4 and NO

* Add N2O5 algorithms and data sets for WACCM/TSMLT (#43)

* fix bad jo2 config in ts1 example

* add N2O5 algorithms and datasets for WACCM

* fix pack/unpack for temperature based cross section

* add acetone calcs for WACCM (#45)

* add acetone calcs for WACCM

* fix uninitialized variable and air density in tests

* add branch options to acetone quantum yields

* Add YAML option for configuration files (#48)

* add YAML config option

* add yaml to json run comparison tests

* update to new musica-core release

* Add ability to calculate heating rates for photolysis reactions (#50)

* draft heating rates class and tests

* finish heating rate tests

* add heating rate output to driver, and include in TS example

* Remove musica-core dependency (#51)

* merge in musica-core dependencies

* don't run tests in parallel

* remove unneeded utility modules

* remove io functions from string_t

* remove debug output from tests to reduce log file size

* update valgrind suppressions for MPI

* update valgrind suppressions

* fix valgrind suppression format error

* remove wildcards from valgrind supresssion error types

* add valgrind suppression

* compile for gcc-13 (#53)

* compile for gcc-13

* excluding oldtuv when using gcc 13.2

* removing cmake debug message

* trying to add a gcc action

* syntax error

* isntalling netcdff

* trying to test multiple gcc versions

* installing numpy

* scipy

* using better thing

* separating build into docker and gcc (#54)

* separating build into docker and gcc

* fixing pages build

* run tests in serial

* not running tests in parallel for focker

* making sure memcheck happens

* adding ctiation file (#55)

* adding ctiation file

* only adding software citation

* syntax

* more syntax

* maybe now?

* correcting authors

* ...

* or now

* duplicate key

* *marge noise*

* trying to update url

* Fix bug in map test with OpenMP (#56)

* fix openmp bug in map test

* fix map test for non-openmp builds

* prepare for 0.8.0 release

* Update publish-package.yml

---------

Co-authored-by: Kyle Shores <[email protected]>

.github/workflows/publish-package.yml

@@ -44,6 +44,7 @@ jobs:
         with:
           context: .
           platforms: linux/amd64, linux/arm64
+          file: docker/Dockerfile
           push: true
           tags: ${{ steps.meta.outputs.tags }}
           labels: ${{ steps.meta.outputs.labels }}