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merge upstream changes#6

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luke-dt wants to merge 29 commits intodantaslab:package/py-baktafrom
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merge upstream changes#6
luke-dt wants to merge 29 commits intodantaslab:package/py-baktafrom
spack:develop

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@luke-dt luke-dt commented Oct 13, 2022

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aurianer and others added 29 commits October 12, 2022 11:10
* Add bioc attribute to r-do-db
* add version 1.38.1 to bioconductor package r-annotationforge
* add version 1.30.4 to bioconductor package r-biocparallel
* add version 2.64.1 to bioconductor package r-biostrings
* add version 4.4.4 to bioconductor package r-clusterprofiler
* add version 2.12.1 to bioconductor package r-complexheatmap
* add version 1.18.1 to bioconductor package r-delayedmatrixstats
* add version 3.22.1 to bioconductor package r-dose
* add version 3.38.4 to bioconductor package r-edger
* add version 1.16.2 to bioconductor package r-enrichplot
* add version 2.20.2 to bioconductor package r-ensembldb
* add version 1.32.4 to bioconductor package r-genomeinfodb
* add version 1.32.1 to bioconductor package r-genomicalignments
* add version 1.48.4 to bioconductor package r-genomicfeatures
* add version 1.44.1 to bioconductor package r-ggbio
* add version 3.4.4 to bioconductor package r-ggtree
* add version 1.24.2 to bioconductor package r-hdf5array
* add version 2.30.1 to bioconductor package r-iranges
* add version 1.36.3 to bioconductor package r-keggrest
* add version 3.52.4 to bioconductor package r-limma
* add version 1.8.1 to bioconductor package r-matrixgenerics
* update r-org-hs-eg-db
* add version 1.38.1 to bioconductor package r-organismdbi
* add version 1.36.1 to bioconductor package r-pathview
* add version 1.56.1 to bioconductor package r-rtracklayer
* add version 1.4.1 to bioconductor package r-scaledmatrix
* add version 1.24.1 to bioconductor package r-scran
* add version 1.6.3 to bioconductor package r-scuttle
* add version 1.18.1 to bioconductor package r-singlecellexperiment
* add version 1.20.2 to bioconductor package r-treeio
* Revert "Add bioc attribute to r-do-db"
This reverts commit 36be5c6.
* Fix quotes on versions

Co-authored-by: Massimiliano Culpo <[email protected]>
Co-authored-by: Tamara Dahlgren <[email protected]>
* env depfile: allow deps only install

- Refactor `spack env depfile` to use a Jinja template, making it a bit
  easier to follow as a human being.
- Add a layer of indirection in the generated Makefile through an
  `<prefix>/.install-deps/<hash>` target, which allows one to specify
  different options when installing dependencies. For example, only
  verbose/debug mode on when installing some particular spec:
  ```
  $ spack -e my_env env depfile -o Makefile --make-target-prefix example
  $ make example/.install-deps/<hash> -j16
  $ make example/.install/<hash> SPACK="spack -d" SPACK_INSTALL_FLAGS=--verbose -j16
  ```

This could be used to speed up `spack ci rebuild`:
- Parallel install of dependencies from buildcache
- Better readability of logs, e.g. reducing verbosity when installing
  dependencies, and splitting logs into deps.log and current_spec.log

* Silence please!
* gpi-space: add new version
* gpi-space: fix flake8 formatting issues
* gpi-space: fix more flake8 issues
* add fortran variant, pass cmake options to build with fortran + specified compiler/mpi compiler wrapper (following existing style in the package), activate exodus fortran wrapper library compilation
* change variant description, fix style
Bumps [docker/setup-buildx-action](https://github.com/docker/setup-buildx-action) from 2.0.0 to 2.1.0.
- [Release notes](https://github.com/docker/setup-buildx-action/releases)
- [Commits](docker/setup-buildx-action@dc7b971...95cb08c)

---
updated-dependencies:
- dependency-name: docker/setup-buildx-action
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <[email protected]>

Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bumps [docker/login-action](https://github.com/docker/login-action) from 2.0.0 to 2.1.0.
- [Release notes](https://github.com/docker/login-action/releases)
- [Commits](docker/login-action@49ed152...f4ef78c)

---
updated-dependencies:
- dependency-name: docker/login-action
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <[email protected]>

Signed-off-by: dependabot[bot] <[email protected]>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
* Add checksum for py-async-lru 1.0.3

* [@spackbot] updating style on behalf of iarspider

* Update var/spack/repos/builtin/packages/py-async-lru/package.py

Co-authored-by: Adam J. Stewart <[email protected]>

* Update package.py

Co-authored-by: iarspider <[email protected]>
Co-authored-by: Adam J. Stewart <[email protected]>
* Add checksum for py-regex 2022.8.17

* Update var/spack/repos/builtin/packages/py-regex/package.py

Co-authored-by: Adam J. Stewart <[email protected]>

Co-authored-by: Adam J. Stewart <[email protected]>
* Add checksum for py-jupyter-server-mathjax 0.2.6

* Update package.py

* Update package.py
* Add checksum for py-setuptools-rust 1.5.1

* Update package.py
* Add checksum for py-keyring 23.9.1

* Update package.py
* Add checksum for py-bokeh 2.4.3

* [@spackbot] updating style on behalf of iarspider

Co-authored-by: iarspider <[email protected]>
* py-pyopenssl: add version 22.1.0

* Update var/spack/repos/builtin/packages/py-pyopenssl/package.py

Co-authored-by: Adam J. Stewart <[email protected]>

Co-authored-by: Adam J. Stewart <[email protected]>
* Remove ROCm constraints for ginkgo@glu_experimental.

* Fix style.

* Apply @tcojean suggestion.

* Fix hip_repair_options in camp package.

* Remvoe old ROCm logic.

* Remove added whitespace.

* Fix style issue.

* Revert camp changes.

* Revert camp whitespace change.

* Set Ginkgo preferred version to 1.4.0
* add new lua releases

* split install phase and move it into a build phase, remove hardcoded standard flag

* revert back to the original hardcoded std flag, guard patch against versions above 5.4
* new package + deps

* Update var/spack/repos/builtin/packages/py-about-time/package.py

Co-authored-by: Adam J. Stewart <[email protected]>

* Update var/spack/repos/builtin/packages/py-alive-progress/package.py

Co-authored-by: Adam J. Stewart <[email protected]>

* removed unnecessary python version dep

Co-authored-by: Adam J. Stewart <[email protected]>
@luke-dt luke-dt closed this Oct 13, 2022
luke-dt pushed a commit that referenced this pull request Jun 6, 2023
1. support version 3.1.3, which now depends on sundials@6

2. support version 3.1.2:, which broke the two patch files and
   therefore the two patch files have been replaced by more flexible
   filter_file() commands inside a patch() function.

3. rename the variant for python extension from using the package name
   "+pyuqtk" to the more standard "+python"

4. add maintainers @omsai and the upstream developer @bjdebus who
   offered to help with the spack packaging.

5. swig should only be a build-time dependency.  swig is only
   necessary until @:3.1.0

6. confirmed python dependencies are correct by inspecting imports,
   subset python dependencies type to build, run, and confirmed all
   31 build-time tests pass including the 9 python tests:

```console
$ spack env create uqtk-dev
$ spack add [email protected]
$ spack install --test root && cat $(spack location -i uqtk)/.spack/install-time-test-log.txt
==> Testing package uqtk-3.1.3-nok6fut
==> [2023-04-19-14:56:25.005361] Running build-time tests
==> [2023-04-19-14:56:25.005536] RUN-TESTS: build-time tests [check]
==> [2023-04-19-14:56:25.009543] '/home/omsai/src/spack/opt/spack/linux-pureos10-skylake/gcc-10.2.1/gmake-4.4.1-b6g4apmfvxz3bn4eabh37dehcrg65fj7/bin/make' '-j4' '-n' 'test'
==> [2023-04-19-14:56:25.014903] '/home/omsai/src/spack/opt/spack/linux-pureos10-skylake/gcc-10.2.1/gmake-4.4.1-b6g4apmfvxz3bn4eabh37dehcrg65fj7/bin/make' '-j4' 'test'
Running tests...
/home/omsai/src/spack/opt/spack/linux-pureos10-skylake/gcc-10.2.1/cmake-3.26.3-zjmsfz23j5l4ytniz26uzvxonlu5qebr/bin/ctest --force-new-ctest-process
Test project /tmp/omsai/spack-stage/spack-stage-uqtk-3.1.3-nok6fut47h42cnaau7wkoohgqy5f2qqa/spack-build-nok6fut
      Start  1: ArrayReadAndWrite
      Start  2: ArrayDelColumn
      Start  3: Array1DMiscTest
      Start  4: Array2DMiscTest
 1/31 Test  #1: ArrayReadAndWrite ................   Passed    0.01 sec
      Start  5: ArraySortTest
 2/31 Test  #2: ArrayDelColumn ...................   Passed    0.01 sec
      Start  6: MultiIndexTest
 3/31 Test  #3: Array1DMiscTest ..................   Passed    0.01 sec
      Start  7: CorrTest
 4/31 Test  #4: Array2DMiscTest ..................   Passed    0.01 sec
      Start  8: QuadLUTest
 5/31 Test  #5: ArraySortTest ....................   Passed    0.02 sec
      Start  9: MCMC2dTest
 6/31 Test  #6: MultiIndexTest ...................   Passed    0.01 sec
      Start 10: MCMCRandomTest
 7/31 Test  #8: QuadLUTest .......................   Passed    0.02 sec
      Start 11: MCMCNestedTest
 8/31 Test #10: MCMCRandomTest ...................   Passed    0.02 sec
      Start 12: Deriv1dTest
 9/31 Test #12: Deriv1dTest ......................   Passed    0.01 sec
      Start 13: SecondDeriv1dTest
10/31 Test #13: SecondDeriv1dTest ................   Passed    0.01 sec
      Start 14: GradHessianTest
11/31 Test #11: MCMCNestedTest ...................   Passed    0.03 sec
      Start 15: GradientPCETest
12/31 Test spack#14: GradHessianTest ..................   Passed    0.01 sec
      Start 16: PCE1dTest
13/31 Test spack#15: GradientPCETest ..................   Passed    0.01 sec
      Start 17: PCEImplTest
14/31 Test spack#16: PCE1dTest ........................   Passed    0.01 sec
      Start 18: PCELogTest
15/31 Test spack#18: PCELogTest .......................   Passed    0.01 sec
      Start 19: Hessian2dTest
16/31 Test spack#19: Hessian2dTest ....................   Passed    0.01 sec
      Start 20: BCS1dTest
17/31 Test spack#20: BCS1dTest ........................   Passed    0.01 sec
      Start 21: BCS2dTest
18/31 Test spack#21: BCS2dTest ........................   Passed    0.01 sec
      Start 22: LowRankRegrTest
19/31 Test spack#22: LowRankRegrTest ..................   Passed    0.01 sec
      Start 23: PyModTest
20/31 Test spack#17: PCEImplTest ......................   Passed    0.07 sec
      Start 24: PyArrayTest
21/31 Test spack#23: PyModTest ........................   Passed    0.08 sec
      Start 25: PyArrayTest2
22/31 Test spack#25: PyArrayTest2 .....................   Passed    0.30 sec
      Start 26: PyQuadTest
23/31 Test spack#24: PyArrayTest ......................   Passed    1.44 sec
      Start 27: PyBCSTest1D
24/31 Test spack#26: PyQuadTest .......................   Passed    1.68 sec
      Start 28: PyBCSTest2D
25/31 Test spack#27: PyBCSTest1D ......................   Passed    1.66 sec
      Start 29: PyBADPTest
26/31 Test  #7: CorrTest .........................   Passed    3.43 sec
      Start 30: PyRegressionTest
27/31 Test spack#28: PyBCSTest2D ......................   Passed    1.50 sec
      Start 31: PyGalerkinTest
28/31 Test  #9: MCMC2dTest .......................   Passed    3.90 sec
29/31 Test spack#29: PyBADPTest .......................   Passed    1.66 sec
30/31 Test spack#30: PyRegressionTest .................   Passed    1.72 sec
31/31 Test spack#31: PyGalerkinTest ...................   Passed    1.63 sec

100% tests passed, 0 tests failed out of 31

Total Test time (real) =   5.35 sec
==> [2023-04-19-14:56:30.382797] '/home/omsai/src/spack/opt/spack/linux-pureos10-skylake/gcc-10.2.1/gmake-4.4.1-b6g4apmfvxz3bn4eabh37dehcrg65fj7/bin/make' '-j4' '-n' 'check'
==> [2023-04-19-14:56:30.385983] Target 'check' not found in Makefile
```
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