From fe1308ed892016120915738c41eeea67d6a71a31 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Wed, 6 Apr 2022 14:44:31 +0200 Subject: [PATCH 01/69] Added conda recipe folder --- conda/meta.yaml | 46 ++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 46 insertions(+) create mode 100644 conda/meta.yaml diff --git a/conda/meta.yaml b/conda/meta.yaml new file mode 100644 index 0000000..7da9a58 --- /dev/null +++ b/conda/meta.yaml @@ -0,0 +1,46 @@ +{% set name = "AMDirT" %} +{% set version = "1.3" %} + +package: + name: {{ name|lower }} + version: {{ version }} + +source: + url: https://github.com/SPAAM-community/AMDirT/archive/{{ version }}.tar.gz + sha256: 47830cabc7ded86785db836d1af968133a568bfdaacfebd66c5dca8c4360b40e + +build: + entry_points: + - ancientMetagenomeDirCheck = ancientMetagenomeDirCheck.cli:cli + noarch: python + script: {{ PYTHON }} -m pip install . -vv + number: 0 + +requirements: + host: + - pip + - python >=3.6 + run: + - click + - jsonschema + - pandas + - python >=3.6 + - rich + +test: + imports: + - ancientMetagenomeDirCheck + commands: + - pip check + - ancientMetagenomeDirCheck --help + requires: + - pip + +about: + home: https://github.com/SPAAM-workshop/ancientMetagenomeDirCheck + license: GPL-3.0 + license_file: LICENSE + +extra: + recipe-maintainers: + - jasmezz From a5a64617cb58a5dacf99376c807e43cdf5597681 Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 28 Apr 2023 16:51:17 +0200 Subject: [PATCH 02/69] add install instruction in readme --- README.md | 12 +++++++----- 1 file changed, 7 insertions(+), 5 deletions(-) diff --git a/README.md b/README.md index 098ca1f..61da7c1 100644 --- a/README.md +++ b/README.md @@ -10,15 +10,17 @@ For documentation on using the tool, please see [How Tos](how_to/index), [Tutori ## Install -Before we release AMDirt on (bio)Conda, please follow the instructions below. - ### 1. With pip -...upon release of v 1.4 +```bash +pip install amdirt +``` ### 2. With conda -...upon release of v 1.4 +```bash +conda install -c bioconda amdirt +``` ### The latest development version, directly from GitHub @@ -34,7 +36,7 @@ pip install --upgrade --force-reinstall git+https://github.com/SPAAM-community/A - Create the conda environment `conda env create -f environment.yml` - Activate the environment `conda activate amdirt` - Install amdirt in development mode `pip install -e .` - - In some cases you may need to force update streamlit with `pip install --upgrade steamlit` + - In some cases you may need to force update streamlit with `pip install --upgrade steamlit` To locally render documentation: From f0b39978e4843a6e5b1ef0683ff4f05ba0cab772 Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Fri, 28 Apr 2023 16:54:39 +0200 Subject: [PATCH 03/69] Update streamlit requirements.txt --- AMDirT/viewer/requirements.txt | 1 + 1 file changed, 1 insertion(+) diff --git a/AMDirT/viewer/requirements.txt b/AMDirT/viewer/requirements.txt index b7f7b52..1bb7f4f 100644 --- a/AMDirT/viewer/requirements.txt +++ b/AMDirT/viewer/requirements.txt @@ -7,3 +7,4 @@ rich==12.2.0 streamlit==1.14.1 watchdog==2.1.7 streamlit-aggrid==0.3.3 +amdirt==1.4 From 30a8f52ef090d7c26047453707dc7c65dbd46294 Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Fri, 28 Apr 2023 16:56:25 +0200 Subject: [PATCH 04/69] Update requirements.txt --- AMDirT/viewer/requirements.txt | 19 ++++++++++--------- 1 file changed, 10 insertions(+), 9 deletions(-) diff --git a/AMDirT/viewer/requirements.txt b/AMDirT/viewer/requirements.txt index 1bb7f4f..429d543 100644 --- a/AMDirT/viewer/requirements.txt +++ b/AMDirT/viewer/requirements.txt @@ -1,10 +1,11 @@ -click==8.1.2 -jsonschema==4.4.0 -numpy==1.22.3 -pandas==1.4.2 -requests==2.27.1 -rich==12.2.0 -streamlit==1.14.1 -watchdog==2.1.7 -streamlit-aggrid==0.3.3 +click +jsonschema +numpy +pandas +requests +rich +streamlit +watchdog +streamlit-aggrid +colorlog amdirt==1.4 From 3099c87612f1c87c82e21d8b03ad9583c53c6305 Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 28 Apr 2023 17:11:08 +0200 Subject: [PATCH 05/69] json path directly in streamlit --- AMDirT/viewer/streamlit.py | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/AMDirT/viewer/streamlit.py b/AMDirT/viewer/streamlit.py index b52d90c..b8d820f 100644 --- a/AMDirT/viewer/streamlit.py +++ b/AMDirT/viewer/streamlit.py @@ -17,11 +17,11 @@ prepare_taxprofiler_table, is_merge_size_zero, get_amdir_tags, - get_libraries + get_libraries, + get_json_path ) - st.set_page_config( page_title="AMDirT viewer", page_icon="https://raw.githubusercontent.com/SPAAM-community/AncientMetagenomeDir/master/assets/images/logos/spaam-AncientMetagenomeDir_logo_mini.png", @@ -40,7 +40,11 @@ def parse_args(): parser = argparse.ArgumentParser("Run Streamlit app") - parser.add_argument("-c", "--config", help="json config file", required=True) + parser.add_argument( + "-c", + "--config", + help="json config file", + default=get_json_path()) try: args = parser.parse_args() except SystemExit as e: From 6e8acb4da68cfca2158396753684b150d3657f0f Mon Sep 17 00:00:00 2001 From: maxibor Date: Tue, 2 May 2023 15:27:58 +0200 Subject: [PATCH 06/69] remove refs to conda --- conda/meta.yaml | 46 ---------------------------------------------- environment.yml | 23 ----------------------- 2 files changed, 69 deletions(-) delete mode 100644 conda/meta.yaml delete mode 100644 environment.yml diff --git a/conda/meta.yaml b/conda/meta.yaml deleted file mode 100644 index 7da9a58..0000000 --- a/conda/meta.yaml +++ /dev/null @@ -1,46 +0,0 @@ -{% set name = "AMDirT" %} -{% set version = "1.3" %} - -package: - name: {{ name|lower }} - version: {{ version }} - -source: - url: https://github.com/SPAAM-community/AMDirT/archive/{{ version }}.tar.gz - sha256: 47830cabc7ded86785db836d1af968133a568bfdaacfebd66c5dca8c4360b40e - -build: - entry_points: - - ancientMetagenomeDirCheck = ancientMetagenomeDirCheck.cli:cli - noarch: python - script: {{ PYTHON }} -m pip install . -vv - number: 0 - -requirements: - host: - - pip - - python >=3.6 - run: - - click - - jsonschema - - pandas - - python >=3.6 - - rich - -test: - imports: - - ancientMetagenomeDirCheck - commands: - - pip check - - ancientMetagenomeDirCheck --help - requires: - - pip - -about: - home: https://github.com/SPAAM-workshop/ancientMetagenomeDirCheck - license: GPL-3.0 - license_file: LICENSE - -extra: - recipe-maintainers: - - jasmezz diff --git a/environment.yml b/environment.yml deleted file mode 100644 index d5294bd..0000000 --- a/environment.yml +++ /dev/null @@ -1,23 +0,0 @@ -name: amdirt -channels: - - conda-forge -dependencies: - - click=8.0.* - - jsonschema=4.4.0 - - numpy=1.22.3 - - pandas=1.4.2 - - pip=22.0.4 - - python>=3.9 - - recommonmark=0.7.1 - - requests=2.27.1 - - rich=12.2.0 - - setuptools=62.0.0 - - sphinx=4.5.0 - - sphinx-click=3.1.0 - - sphinx_rtd_theme=1.0.0 - - streamlit=1.14.1 - - watchdog=2.1.7 - - tox - - colorlog>=6.7.0 - - pip: - - streamlit-aggrid==0.3.3 From 47faa80435f2b5181f0c475767a328c0fdb9f8de Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 3 May 2023 14:20:19 +0200 Subject: [PATCH 07/69] update package_data discovery --- AMDirT/core/__init__.py | 2 +- setup.py | 3 ++- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index e38e288..2045016 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -23,7 +23,7 @@ def get_json_path(): - path = os.path.join(get_module_dir("AMDirT.assets"), "tables.json") + path = get_module_dir("AMDirT.assets").joinpath("tables.json") return path diff --git a/setup.py b/setup.py index f7e6df9..1f66f49 100644 --- a/setup.py +++ b/setup.py @@ -41,6 +41,7 @@ def get_version(rel_path): ], packages=find_packages(exclude="test"), entry_points={"console_scripts": ["AMDirT = AMDirT.cli:cli"]}, + package_dir={"AMDirT": "AMDirT"}, include_package_data=True, - package_data={"": ["assets/tables.json"]}, + package_data={"AMDirT.assets": ["tables.json"]}, ) From c786a8650b3c0ff63746e2a51f63638dad1bed97 Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 3 May 2023 14:22:02 +0200 Subject: [PATCH 08/69] bump version --- AMDirT/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/__init__.py b/AMDirT/__init__.py index e992399..bf25615 100644 --- a/AMDirT/__init__.py +++ b/AMDirT/__init__.py @@ -1 +1 @@ -__version__ = "1.4" +__version__ = "1.4.1" From 77434c4d82a26eee9c577472bf6e3034cc8cb9b9 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Wed, 3 May 2023 15:20:40 +0200 Subject: [PATCH 09/69] Fix Zenodo to point to global DOI --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 61da7c1..f8f1a9e 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,4 @@ -[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4003826.svg)](https://doi.org/10.5281/zenodo.4003826) [![PyPI version](https://badge.fury.io/py/AMDirT.svg)](https://pypi.org/project/AMDirT) [![Documentation Status](https://readthedocs.org/projects/amdirt/badge/?version=dev)](https://amdirt.readthedocs.io/en/dev/?badge=dev) [![AMDirT-CI](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml/badge.svg)](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml) +[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4003825.svg)](https://doi.org/10.5281/zenodo.4003825) [![PyPI version](https://badge.fury.io/py/AMDirT.svg)](https://pypi.org/project/AMDirT) [![Documentation Status](https://readthedocs.org/projects/amdirt/badge/?version=dev)](https://amdirt.readthedocs.io/en/dev/?badge=dev) [![AMDirT-CI](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml/badge.svg)](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml) # AMDirT From 8661a1914c365fbfc43b1631637802957edf2056 Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 3 May 2023 15:47:13 +0200 Subject: [PATCH 10/69] remove include_package_data and bump version --- AMDirT/__init__.py | 2 +- setup.py | 1 - 2 files changed, 1 insertion(+), 2 deletions(-) diff --git a/AMDirT/__init__.py b/AMDirT/__init__.py index bf25615..daa50c7 100644 --- a/AMDirT/__init__.py +++ b/AMDirT/__init__.py @@ -1 +1 @@ -__version__ = "1.4.1" +__version__ = "1.4.2" diff --git a/setup.py b/setup.py index 1f66f49..1db4f0e 100644 --- a/setup.py +++ b/setup.py @@ -42,6 +42,5 @@ def get_version(rel_path): packages=find_packages(exclude="test"), entry_points={"console_scripts": ["AMDirT = AMDirT.cli:cli"]}, package_dir={"AMDirT": "AMDirT"}, - include_package_data=True, package_data={"AMDirT.assets": ["tables.json"]}, ) From 44b65e5b352ab1abca46e81292d230908ccf687a Mon Sep 17 00:00:00 2001 From: Alex Huebner Date: Wed, 3 May 2023 16:14:16 +0200 Subject: [PATCH 11/69] Remove big marks from read count column --- AMDirT/autofill/__init__.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/AMDirT/autofill/__init__.py b/AMDirT/autofill/__init__.py index ef1fab0..12479d5 100644 --- a/AMDirT/autofill/__init__.py +++ b/AMDirT/autofill/__init__.py @@ -108,6 +108,8 @@ def run_autofill(accession, table_name=None, schema=None, dataset=None, sample_o lib_out[col] = None lib_out = lib_out[libraries_df.columns] lib_out = lib_out.loc[:,~lib_out.columns.duplicated()].copy() + lib_out['read_count'] = lib_out['read_count'].str.replace(",", "", + regex=False) lib_out = lib_out.astype(libraries_df.dtypes.to_dict()) if library_output: From 03b8baad5357ff5a4e837b7e604b7660d575b261 Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 3 May 2023 16:32:39 +0200 Subject: [PATCH 12/69] bump version --- AMDirT/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/__init__.py b/AMDirT/__init__.py index daa50c7..aa56ed4 100644 --- a/AMDirT/__init__.py +++ b/AMDirT/__init__.py @@ -1 +1 @@ -__version__ = "1.4.2" +__version__ = "1.4.3" From 4ef7fdd99abb3bd2fd1c0366bd1a7e9a4e2a83f2 Mon Sep 17 00:00:00 2001 From: maxibor Date: Thu, 1 Jun 2023 13:03:33 +0200 Subject: [PATCH 13/69] refactor markdown table export --- AMDirT/validate/domain/__init__.py | 12 ++---------- 1 file changed, 2 insertions(+), 10 deletions(-) diff --git a/AMDirT/validate/domain/__init__.py b/AMDirT/validate/domain/__init__.py index 8af1cbe..a7ec57f 100644 --- a/AMDirT/validate/domain/__init__.py +++ b/AMDirT/validate/domain/__init__.py @@ -316,16 +316,8 @@ def to_markdown(self) -> bool: Raises: SystemExit: If dataset is invalid """ - df = pd.DataFrame(columns=["Error", "Source", "Column", "Row", "Message"]) - for error in self.errors: - df = pd.concat( - [ - df, - pd.Series(error.to_dict()) - ], - ignore_index=True - ) - if len(df) > 0: + if len(self.errors) > 0: + df = pd.concat([pd.Series(error.to_dict()).to_frame().transpose() for error in self.errors]) raise SystemExit( f"Invalid dataset `{self.dataset_name}`\n\n{df.to_markdown(index=False)}" ) From f86b98bfafc4fedecc0b91cfbc2dc2203bff2494 Mon Sep 17 00:00:00 2001 From: maxibor Date: Thu, 1 Jun 2023 13:42:45 +0200 Subject: [PATCH 14/69] bump version --- AMDirT/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/__init__.py b/AMDirT/__init__.py index aa56ed4..c0f285b 100644 --- a/AMDirT/__init__.py +++ b/AMDirT/__init__.py @@ -1 +1 @@ -__version__ = "1.4.3" +__version__ = "1.4.4" From cc4737269917d44860d83879379b0c9cb8a14dd9 Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 2 Jun 2023 11:35:01 +0200 Subject: [PATCH 15/69] enforce logging basiclevel --- AMDirT/core/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index 2045016..4506780 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -12,6 +12,7 @@ pd.options.mode.chained_assignment = None +logging.basicConfig(level=logging.INFO) handler = colorlog.StreamHandler() handler.setFormatter(colorlog.ColoredFormatter( @@ -26,7 +27,6 @@ def get_json_path(): path = get_module_dir("AMDirT.assets").joinpath("tables.json") return path - @st.cache_data def get_amdir_tags(): r = requests.get( From 0e563f3887409d058825b778d0d30266100bb9b5 Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 2 Jun 2023 12:00:37 +0200 Subject: [PATCH 16/69] bump version to 1.4.5 --- AMDirT/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/__init__.py b/AMDirT/__init__.py index c0f285b..56dadec 100644 --- a/AMDirT/__init__.py +++ b/AMDirT/__init__.py @@ -1 +1 @@ -__version__ = "1.4.4" +__version__ = "1.4.5" From e1d2f9a13b372b153196c2ab10f37faf32bb0827 Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 2 Jun 2023 13:01:17 +0200 Subject: [PATCH 17/69] improve markdown logging --- AMDirT/validate/domain/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/validate/domain/__init__.py b/AMDirT/validate/domain/__init__.py index a7ec57f..2cb9d7b 100644 --- a/AMDirT/validate/domain/__init__.py +++ b/AMDirT/validate/domain/__init__.py @@ -322,5 +322,5 @@ def to_markdown(self) -> bool: f"Invalid dataset `{self.dataset_name}`\n\n{df.to_markdown(index=False)}" ) else: - logger.info(f"{self.dataset_name} is valid") + print(f"`{self.dataset_name}` is valid") return True From 961e49998d85a87a9a716414246a3a02b467f91b Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 2 Jun 2023 13:36:51 +0200 Subject: [PATCH 18/69] bump version --- AMDirT/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/__init__.py b/AMDirT/__init__.py index 56dadec..bde0031 100644 --- a/AMDirT/__init__.py +++ b/AMDirT/__init__.py @@ -1 +1 @@ -__version__ = "1.4.5" +__version__ = "1.4.6" From 38ebe14c0c054f6ac6a590a81cd0697edb9f455b Mon Sep 17 00:00:00 2001 From: maxibor Date: Thu, 29 Jun 2023 13:48:23 +0200 Subject: [PATCH 19/69] add amdirt logos - credits to @jfy133 --- .gitignore | 1 + README.md | 2 +- assets/amdirt_square.png | Bin 0 -> 34717 bytes assets/amdirt_square_web.png | Bin 0 -> 7124 bytes assets/logo_rectangular.png | Bin 0 -> 67097 bytes assets/logo_rectangular.svg | 145 ++++++++++++++++++++++++++++++++ assets/logo_rectangular_web.png | Bin 0 -> 13140 bytes 7 files changed, 147 insertions(+), 1 deletion(-) create mode 100644 assets/amdirt_square.png create mode 100644 assets/amdirt_square_web.png create mode 100644 assets/logo_rectangular.png create mode 100644 assets/logo_rectangular.svg create mode 100644 assets/logo_rectangular_web.png diff --git a/.gitignore b/.gitignore index ead8095..d87db8d 100644 --- a/.gitignore +++ b/.gitignore @@ -1,4 +1,5 @@ docs/build/ +.DS_Store # Byte-compiled / optimized / DLL files __pycache__/ diff --git a/README.md b/README.md index f8f1a9e..30b47f1 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4003825.svg)](https://doi.org/10.5281/zenodo.4003825) [![PyPI version](https://badge.fury.io/py/AMDirT.svg)](https://pypi.org/project/AMDirT) [![Documentation Status](https://readthedocs.org/projects/amdirt/badge/?version=dev)](https://amdirt.readthedocs.io/en/dev/?badge=dev) [![AMDirT-CI](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml/badge.svg)](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml) -# AMDirT +![](assets/logo_rectangular_web.png) **AMDirT**: [**A**ncient**M**etagenome**Dir**](https://github.com/SPAAM-community/ancientmetagenomedir) **T**oolkit diff --git a/assets/amdirt_square.png b/assets/amdirt_square.png 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diff --git a/README.md b/README.md index 30b47f1..e995174 100644 --- a/README.md +++ b/README.md @@ -2,6 +2,9 @@ ![](assets/logo_rectangular_web.png) +# ![AMDirT](assets/logo_rectangular.png.png#gh-light-mode-only) ![AMDirT](assets/logo_rectangular_dark.png#gh-dark-mode-only) + + **AMDirT**: [**A**ncient**M**etagenome**Dir**](https://github.com/SPAAM-community/ancientmetagenomedir) **T**oolkit AMDirT is a toolkit for interacting with the AncientMetagenomeDir metadata repository of ancient metagenomic samples and ancient microbial genomes. 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diff --git a/docs/source/index.rst b/docs/source/index.rst index ade9480..4fca812 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -5,7 +5,7 @@ Welcome to AMDirT's documentation! ==================================== -.. image:: https://github.com/SPAAM-community/AncientMetagenomeDir/raw/master/assets/images/logos/spaam-AncientMetagenomeDir_socialmedia.png +.. image:: https://github.com/SPAAM-community/AMDirT/raw/master/assets/logo_rectangular_web.png :width: 400 :alt: AncientMetagenomeDir Logo From 93a3697565a54c5ec56d581ae897c579898ac822 Mon Sep 17 00:00:00 2001 From: James Fellows Yates Date: Thu, 29 Jun 2023 19:48:19 +0200 Subject: [PATCH 22/69] Remove original --- README.md | 1 - 1 file changed, 1 deletion(-) diff --git a/README.md b/README.md index e995174..08de969 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,5 @@ [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4003825.svg)](https://doi.org/10.5281/zenodo.4003825) [![PyPI version](https://badge.fury.io/py/AMDirT.svg)](https://pypi.org/project/AMDirT) [![Documentation Status](https://readthedocs.org/projects/amdirt/badge/?version=dev)](https://amdirt.readthedocs.io/en/dev/?badge=dev) [![AMDirT-CI](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml/badge.svg)](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml) -![](assets/logo_rectangular_web.png) # ![AMDirT](assets/logo_rectangular.png.png#gh-light-mode-only) ![AMDirT](assets/logo_rectangular_dark.png#gh-dark-mode-only) From 44d7bd8b715c906d43fed60ee4d10c7d56ee466b Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 29 Jun 2023 20:57:52 +0200 Subject: [PATCH 23/69] Center images --- README.md | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 08de969..804f309 100644 --- a/README.md +++ b/README.md @@ -1,8 +1,16 @@ [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4003825.svg)](https://doi.org/10.5281/zenodo.4003825) [![PyPI version](https://badge.fury.io/py/AMDirT.svg)](https://pypi.org/project/AMDirT) [![Documentation Status](https://readthedocs.org/projects/amdirt/badge/?version=dev)](https://amdirt.readthedocs.io/en/dev/?badge=dev) [![AMDirT-CI](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml/badge.svg)](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml) +

+
+ +![AMDirT](assets/logo_rectangular_dark.png#gh-dark-mode-only) + +
**AMDirT**: [**A**ncient**M**etagenome**Dir**](https://github.com/SPAAM-community/ancientmetagenomedir) **T**oolkit From 3fc177b28ed75d04376b9108ac14f4732d31ac0c Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Fri, 30 Jun 2023 11:02:42 +0200 Subject: [PATCH 24/69] one .png extension only --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 804f309..5397b6d 100644 --- a/README.md +++ b/README.md @@ -2,7 +2,7 @@
-![AMDirT](assets/logo_rectangular.png.png#gh-light-mode-only) +![AMDirT](assets/logo_rectangular.png#gh-light-mode-only)
From e0946d72b4e1c5fb01816f2cb9869e569c2a2b0d Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Fri, 30 Jun 2023 11:08:40 +0200 Subject: [PATCH 25/69] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 5397b6d..96221c2 100644 --- a/README.md +++ b/README.md @@ -16,7 +16,7 @@ AMDirT is a toolkit for interacting with the AncientMetagenomeDir metadata repository of ancient metagenomic samples and ancient microbial genomes. This tool provides ways to validate AncientMetagenomeDir submissions, explore and download sequencing data for ancient microbial and environmental (meta)genomes, and automatically prepare input samplesheets for a range of bioinformatic processing pipelines. -For documentation on using the tool, please see [How Tos](how_to/index), [Tutorials](/tutorials) and/or [Quick Reference](/reference). +For documentation on using the tool, please see [How Tos](https://amdirt.readthedocs.io/en/latest/how_to/index.html), [Tutorials](https://amdirt.readthedocs.io/en/latest/tutorials/index.html) and/or [Quick Reference](https://amdirt.readthedocs.io/en/latest/reference.html). ## Install From 9d542734590a1fac10f477ebfa335cb179f3df68 Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Fri, 30 Jun 2023 11:13:59 +0200 Subject: [PATCH 26/69] Update README.md replace logo links by url to raw file (for compatiblity with readthedocs) --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 96221c2..de7b18f 100644 --- a/README.md +++ b/README.md @@ -2,13 +2,13 @@
-![AMDirT](assets/logo_rectangular.png#gh-light-mode-only) +![AMDirT](https://raw.githubusercontent.com/SPAAM-community/AMDirT/master/assets/logo_rectangular.png#gh-light-mode-only)
-![AMDirT](assets/logo_rectangular_dark.png#gh-dark-mode-only) +![AMDirT](https://raw.githubusercontent.com/SPAAM-community/AMDirT/master/assets/logo_rectangular_dark.png#gh-dark-mode-only)
From 0fcaac0f5561431d98696465a22a72e2c9cdd758 Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 6 Dec 2023 13:35:31 +0100 Subject: [PATCH 27/69] doc: conda install in a dedicated env --- README.md | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 30b47f1..3635c7f 100644 --- a/README.md +++ b/README.md @@ -18,8 +18,11 @@ pip install amdirt ### 2. With conda +Installing AMDirT in a dedicated conda environment + ```bash -conda install -c bioconda amdirt +conda create -n amdirt -c bioconda amdirt +conda activate amdirt ``` ### The latest development version, directly from GitHub From 9eba2294b559ba98ef0728604840cbf642917b84 Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 6 Dec 2023 13:41:36 +0100 Subject: [PATCH 28/69] doc: add supported hardware/OS comment --- docs/source/how_to/miscellaneous.md | 8 +++----- 1 file changed, 3 insertions(+), 5 deletions(-) diff --git a/docs/source/how_to/miscellaneous.md b/docs/source/how_to/miscellaneous.md index 9843282..fc86843 100644 --- a/docs/source/how_to/miscellaneous.md +++ b/docs/source/how_to/miscellaneous.md @@ -72,8 +72,6 @@ nextflow pull nf-core/fetchngs nextflow run nf-core/fetchngs --input AncientMetagenomeDir_nf_core_fetchngs_input_table.tsv` ``` - +#### Supported hardware/OS + +AMDirT has been tested on different Unix systems (macOS and Ubuntu) using Intel and AMD chips. If you suspect that AMDirT isn't working properly because you use a different hardware/OS, please open an [issue on GitHub](https://github.com/SPAAM-community/AMDirT/issues). From 8b490ec4309aa9a98eb4df443b0b37e45fc1492c Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 6 Dec 2023 14:52:19 +0100 Subject: [PATCH 29/69] fix: monkeypatch streamlit get_storage_manager to avoid recurring warning https://github.com/streamlit/streamlit/issues/6620 --- AMDirT/core/__init__.py | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index 4506780..83c7c63 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -23,6 +23,17 @@ logger.propagate = False +def monkeypatch_get_storage_manager(): + if st.runtime.exists(): + return st.runtime.get_instance().cache_storage_manager + else: + # When running in "raw mode", we can't access the CacheStorageManager, + # so we're falling back to InMemoryCache. + # _LOGGER.warning("No runtime found, using MemoryCacheStorageManager") + return st.runtime.caching.storage.dummy_cache_storage.MemoryCacheStorageManager() + +st.runtime.caching._data_caches.get_storage_manager = monkeypatch_get_storage_manager + def get_json_path(): path = get_module_dir("AMDirT.assets").joinpath("tables.json") return path From c3aa1db5053452da8c78bdeef062ccbf72bfa30e Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 6 Dec 2023 15:28:27 +0100 Subject: [PATCH 30/69] fix: doi2bib test --- tests/test_core.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_core.py b/tests/test_core.py index 00d781a..34c71ab 100644 --- a/tests/test_core.py +++ b/tests/test_core.py @@ -14,7 +14,7 @@ def test_get_colour_chemistry(): def test_doi2bib(): - assert doi2bib("10.1038/nature14236")[:18] == "@article{Mnih_2015" + assert doi2bib("10.1038/nature14236")[:18] == " @article{Mnih_201" def test_ena_portal_status(): From 5a110c815feb258be10237946129b7d9aa79a035 Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 6 Dec 2023 15:53:53 +0100 Subject: [PATCH 31/69] feat: add sample table download --- AMDirT/viewer/streamlit.py | 23 ++++++++++++++++++++--- 1 file changed, 20 insertions(+), 3 deletions(-) diff --git a/AMDirT/viewer/streamlit.py b/AMDirT/viewer/streamlit.py index b8d820f..9495863 100644 --- a/AMDirT/viewer/streamlit.py +++ b/AMDirT/viewer/streamlit.py @@ -165,7 +165,8 @@ def parse_args(): with placeholder.container(): - ( + ( + button_sample_table, button_libraries, button_fastq, button_samplesheet_eager, @@ -173,7 +174,7 @@ def parse_args(): button_samplesheet_taxprofiler, button_samplesheet_ameta, button_bibtex - ) = st.columns(7) + ) = st.columns(8) if st.session_state.force_validation: # Calculate the fastq file size of the selected libraries @@ -198,6 +199,22 @@ def parse_args(): ## LIBRARY TABLE ## ################### + with button_sample_table: + st.download_button( + label="Download AncientMetagenomeDir Sample Table", + data=( + pd.DataFrame(df_mod["selected_rows"]) + .drop('_selectedRowNodeInfo', axis=1) + .to_csv(sep=",", index=False) + .encode("utf-8") + ), + file_name="AncientMetagenomeDir_filtered_samples.csv", + ) + + ################### + ## LIBRARY TABLE ## + ################### + if st.session_state.table_name in ["ancientmetagenome-environmental"]: col_drop = ["archive_accession"] else: @@ -214,7 +231,7 @@ def parse_args(): ).drop( col_drop, axis=1 ) - .to_csv(sep="\t", index=False) + .to_csv(sep=",", index=False) .encode("utf-8"), file_name="AncientMetagenomeDir_filtered_libraries.csv", ) From b8ffe46ab5fef41269927d291f394bd47b35f7a7 Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 15 Dec 2023 14:21:28 +0100 Subject: [PATCH 32/69] doc: add issue link to MemoryCacheManager warning monkeypatch --- AMDirT/core/__init__.py | 86 ++++++++++++++++++++++++++++++++--------- 1 file changed, 67 insertions(+), 19 deletions(-) diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index 83c7c63..b96b1d5 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -15,10 +15,11 @@ logging.basicConfig(level=logging.INFO) handler = colorlog.StreamHandler() -handler.setFormatter(colorlog.ColoredFormatter( - '%(log_color)s%(name)s [%(levelname)s]: %(message)s')) +handler.setFormatter( + colorlog.ColoredFormatter("%(log_color)s%(name)s [%(levelname)s]: %(message)s") +) -logger = colorlog.getLogger('AMDirT') +logger = colorlog.getLogger("AMDirT") logger.addHandler(handler) logger.propagate = False @@ -29,15 +30,21 @@ def monkeypatch_get_storage_manager(): else: # When running in "raw mode", we can't access the CacheStorageManager, # so we're falling back to InMemoryCache. + # https://github.com/streamlit/streamlit/issues/6620 # _LOGGER.warning("No runtime found, using MemoryCacheStorageManager") - return st.runtime.caching.storage.dummy_cache_storage.MemoryCacheStorageManager() + return ( + st.runtime.caching.storage.dummy_cache_storage.MemoryCacheStorageManager() + ) + st.runtime.caching._data_caches.get_storage_manager = monkeypatch_get_storage_manager + def get_json_path(): path = get_module_dir("AMDirT.assets").joinpath("tables.json") return path + @st.cache_data def get_amdir_tags(): r = requests.get( @@ -87,8 +94,14 @@ def doi2bib(doi: str) -> str: return r.text + @st.cache_data -def get_libraries(table_name: str, samples: pd.DataFrame, libraries: pd.DataFrame, supported_archives: Iterable[str]): +def get_libraries( + table_name: str, + samples: pd.DataFrame, + libraries: pd.DataFrame, + supported_archives: Iterable[str], +): """Get filtered libraries from samples and libraries tables Args: @@ -127,6 +140,7 @@ def get_libraries(table_name: str, samples: pd.DataFrame, libraries: pd.DataFram return selected_libraries + def get_filename(path_string: str, orientation: str) -> Tuple[str, str]: """ Get Fastq Filename from download_links column @@ -149,8 +163,8 @@ def get_filename(path_string: str, orientation: str) -> Tuple[str, str]: elif orientation == "rev": return rev -def parse_to_mag(selected_libraries): +def parse_to_mag(selected_libraries): selected_libraries["short_reads_1"] = selected_libraries["download_links"].apply( get_filename, orientation="fwd" ) @@ -176,6 +190,7 @@ def parse_to_mag(selected_libraries): ) return selected_libraries + @st.cache_data def prepare_eager_table( samples: pd.DataFrame, @@ -270,10 +285,14 @@ def prepare_mag_table( ) # Create a DataFrame for "SINGLE" values - single_libraries = selected_libraries[selected_libraries["library_layout"] == "SINGLE"] + single_libraries = selected_libraries[ + selected_libraries["library_layout"] == "SINGLE" + ] # Create a DataFrame for "PAIRED" values - paired_libraries = selected_libraries[selected_libraries["library_layout"] == "PAIRED"] + paired_libraries = selected_libraries[ + selected_libraries["library_layout"] == "PAIRED" + ] if not single_libraries.empty: single_libraries = parse_to_mag(single_libraries) @@ -282,6 +301,7 @@ def prepare_mag_table( return single_libraries, paired_libraries + @st.cache_data def prepare_accession_table( samples: pd.DataFrame, @@ -335,6 +355,7 @@ def prepare_accession_table( "aspera_script": dl_script_header + aspera_script, } + @st.cache_data def prepare_taxprofiler_table( samples: pd.DataFrame, @@ -365,26 +386,53 @@ def prepare_taxprofiler_table( get_filename, orientation="rev" ) - selected_libraries["fastq_2"] = selected_libraries["fastq_2"].replace( - "NA", "" - ) + selected_libraries["fastq_2"] = selected_libraries["fastq_2"].replace("NA", "") selected_libraries["fasta"] = "" - selected_libraries['instrument_model'] = where(selected_libraries['instrument_model'].str.lower().str.contains('illumina|nextseq|hiseq|miseq'), 'ILLUMINA', - where(selected_libraries['instrument_model'].str.lower().str.contains('torrent'), 'ION_TORRENT', - where(selected_libraries['instrument_model'].str.lower().str.contains('helicos'), 'HELICOS', - where(selected_libraries['instrument_model'].str.lower().str.contains('bgiseq'), 'BGISEQ', - where(selected_libraries['instrument_model'].str.lower().str.contains('454'), 'LS454', - selected_libraries['instrument_model'])))) + selected_libraries["instrument_model"] = where( + selected_libraries["instrument_model"] + .str.lower() + .str.contains("illumina|nextseq|hiseq|miseq"), + "ILLUMINA", + where( + selected_libraries["instrument_model"].str.lower().str.contains("torrent"), + "ION_TORRENT", + where( + selected_libraries["instrument_model"] + .str.lower() + .str.contains("helicos"), + "HELICOS", + where( + selected_libraries["instrument_model"] + .str.lower() + .str.contains("bgiseq"), + "BGISEQ", + where( + selected_libraries["instrument_model"] + .str.lower() + .str.contains("454"), + "LS454", + selected_libraries["instrument_model"], + ), + ), + ), + ), ) - col2keep = ["sample_name", "library_name", "instrument_model", "fastq_1", "fastq_2", "fasta"] + col2keep = [ + "sample_name", + "library_name", + "instrument_model", + "fastq_1", + "fastq_2", + "fasta", + ] selected_libraries = selected_libraries[col2keep].rename( columns={ "sample_name": "sample", "library_name": "run_accession", - "instrument_model": "instrument_platform" + "instrument_model": "instrument_platform", } ) From 9191e3098fbbacec61a15fd39d8d33dbd1134a57 Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 15 Dec 2023 14:31:10 +0100 Subject: [PATCH 33/69] code review: apply suggestions --- README.md | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index 3635c7f..666035d 100644 --- a/README.md +++ b/README.md @@ -10,7 +10,7 @@ For documentation on using the tool, please see [How Tos](how_to/index), [Tutori ## Install -### 1. With pip +### 1. With [pip](https://pip.pypa.io/en/stable/getting-started/) ```bash pip install amdirt @@ -18,11 +18,13 @@ pip install amdirt ### 2. With conda -Installing AMDirT in a dedicated conda environment +Installing AMDirT in a dedicated [conda](https://docs.conda.io/projects/miniconda/en/latest/index.html) environment ```bash -conda create -n amdirt -c bioconda amdirt -conda activate amdirt +conda create -n amdirt -c bioconda amdirt #install amdirt in a dedicated conda environment +conda activate amdirt # activate the conda environment +# use amdirt +conda deactivate amdirt # deactivate the conda environment ``` ### The latest development version, directly from GitHub From 66e1a0809567ee74a19c5a24c2c523611673e1e0 Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 15 Dec 2023 16:21:16 +0100 Subject: [PATCH 34/69] feat: add library selection --- AMDirT/core/__init__.py | 168 ++++++++++++--------------------- AMDirT/viewer/streamlit.py | 185 ++++++++++++++++++++++++------------- 2 files changed, 181 insertions(+), 172 deletions(-) diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index b96b1d5..07c8daf 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -164,17 +164,15 @@ def get_filename(path_string: str, orientation: str) -> Tuple[str, str]: return rev -def parse_to_mag(selected_libraries): - selected_libraries["short_reads_1"] = selected_libraries["download_links"].apply( +def parse_to_mag(libraries): + libraries["short_reads_1"] = libraries["download_links"].apply( get_filename, orientation="fwd" ) - selected_libraries["short_reads_2"] = selected_libraries["download_links"].apply( + libraries["short_reads_2"] = libraries["download_links"].apply( get_filename, orientation="rev" ) - selected_libraries["short_reads_2"] = selected_libraries["short_reads_2"].replace( - "NA", "" - ) - selected_libraries["longs_reads"] = "" + libraries["short_reads_2"] = libraries["short_reads_2"].replace("NA", "") + libraries["longs_reads"] = "" col2keep = [ "archive_data_accession", "archive_sample_accession", @@ -182,13 +180,13 @@ def parse_to_mag(selected_libraries): "short_reads_2", "longs_reads", ] - selected_libraries = selected_libraries[col2keep].rename( + libraries = libraries[col2keep].rename( columns={ "archive_data_accession": "sample", "archive_sample_accession": "group", } ) - return selected_libraries + return libraries @st.cache_data @@ -206,36 +204,24 @@ def prepare_eager_table( table_name (str): Name of the table supported_archives (list): list of supported archives """ - selected_libraries = get_libraries( - table_name=table_name, - samples=samples, - libraries=libraries, - supported_archives=supported_archives, + + libraries["Colour_Chemistry"] = libraries["instrument_model"].apply( + get_colour_chemistry ) - selected_libraries["Colour_Chemistry"] = selected_libraries[ - "instrument_model" - ].apply(get_colour_chemistry) + libraries["UDG_Treatment"] = libraries.library_treatment.str.split( + "-", expand=True + )[0] - selected_libraries[ - "UDG_Treatment" - ] = selected_libraries.library_treatment.str.split("-", expand=True)[0] + libraries["R1"] = libraries["download_links"].apply(get_filename, orientation="fwd") - selected_libraries["R1"] = selected_libraries["download_links"].apply( - get_filename, orientation="fwd" - ) + libraries["R2"] = libraries["download_links"].apply(get_filename, orientation="rev") - selected_libraries["R2"] = selected_libraries["download_links"].apply( - get_filename, orientation="rev" - ) - - selected_libraries["Lane"] = 0 - selected_libraries["SeqType"] = where( - selected_libraries["library_layout"] == "SINGLE", "SE", "PE" - ) - selected_libraries["BAM"] = "NA" + libraries["Lane"] = 0 + libraries["SeqType"] = where(libraries["library_layout"] == "SINGLE", "SE", "PE") + libraries["BAM"] = "NA" if table_name == "ancientmetagenome-environmental": - selected_libraries["sample_host"] = "environmental" + libraries["sample_host"] = "environmental" col2keep = [ "sample_name", "archive_data_accession", @@ -249,7 +235,7 @@ def prepare_eager_table( "R2", "BAM", ] - selected_libraries = selected_libraries[col2keep].rename( + libraries = libraries[col2keep].rename( columns={ "sample_name": "Sample_Name", "archive_data_accession": "Library_ID", @@ -258,7 +244,7 @@ def prepare_eager_table( } ) - return selected_libraries + return libraries @st.cache_data @@ -277,22 +263,11 @@ def prepare_mag_table( supported_archives (list): list of supported archives """ - selected_libraries = get_libraries( - table_name=table_name, - samples=samples, - libraries=libraries, - supported_archives=supported_archives, - ) - # Create a DataFrame for "SINGLE" values - single_libraries = selected_libraries[ - selected_libraries["library_layout"] == "SINGLE" - ] + single_libraries = libraries[libraries["library_layout"] == "SINGLE"] # Create a DataFrame for "PAIRED" values - paired_libraries = selected_libraries[ - selected_libraries["library_layout"] == "PAIRED" - ] + paired_libraries = libraries[libraries["library_layout"] == "PAIRED"] if not single_libraries.empty: single_libraries = parse_to_mag(single_libraries) @@ -318,15 +293,16 @@ def prepare_accession_table( supported_archives (list): list of supported archives """ - selected_libraries = get_libraries( - table_name=table_name, - samples=samples, - libraries=libraries, - supported_archives=supported_archives, - ) + # libraries = get_libraries( + # table_name=table_name, + # samples=samples, + # libraries=libraries, + # supported_archives=supported_archives, + # ) # Downloading with curl or aspera instead of fetchngs - urls = set(selected_libraries["download_links"]) + print(libraries.columns) + urls = set(libraries["download_links"]) links = set() for u in urls: for s in u.split(";"): @@ -348,9 +324,7 @@ def prepare_accession_table( ) return { - "df": selected_libraries[ - ["archive_accession", "download_sizes"] - ].drop_duplicates(), + "df": libraries[["archive_accession", "download_sizes"]].drop_duplicates(), "curl_script": dl_script_header + curl_script, "aspera_script": dl_script_header + aspera_script, } @@ -371,49 +345,37 @@ def prepare_taxprofiler_table( table_name (str): Name of the table supported_archives (list): list of supported archives """ - selected_libraries = get_libraries( - table_name=table_name, - samples=samples, - libraries=libraries, - supported_archives=supported_archives, - ) - selected_libraries["fastq_1"] = selected_libraries["download_links"].apply( + libraries["fastq_1"] = libraries["download_links"].apply( get_filename, orientation="fwd" ) - selected_libraries["fastq_2"] = selected_libraries["download_links"].apply( + libraries["fastq_2"] = libraries["download_links"].apply( get_filename, orientation="rev" ) - selected_libraries["fastq_2"] = selected_libraries["fastq_2"].replace("NA", "") + libraries["fastq_2"] = libraries["fastq_2"].replace("NA", "") - selected_libraries["fasta"] = "" + libraries["fasta"] = "" - selected_libraries["instrument_model"] = where( - selected_libraries["instrument_model"] + libraries["instrument_model"] = where( + libraries["instrument_model"] .str.lower() .str.contains("illumina|nextseq|hiseq|miseq"), "ILLUMINA", where( - selected_libraries["instrument_model"].str.lower().str.contains("torrent"), + libraries["instrument_model"].str.lower().str.contains("torrent"), "ION_TORRENT", where( - selected_libraries["instrument_model"] - .str.lower() - .str.contains("helicos"), + libraries["instrument_model"].str.lower().str.contains("helicos"), "HELICOS", where( - selected_libraries["instrument_model"] - .str.lower() - .str.contains("bgiseq"), + libraries["instrument_model"].str.lower().str.contains("bgiseq"), "BGISEQ", where( - selected_libraries["instrument_model"] - .str.lower() - .str.contains("454"), + libraries["instrument_model"].str.lower().str.contains("454"), "LS454", - selected_libraries["instrument_model"], + libraries["instrument_model"], ), ), ), @@ -428,7 +390,7 @@ def prepare_taxprofiler_table( "fastq_2", "fasta", ] - selected_libraries = selected_libraries[col2keep].rename( + libraries = libraries[col2keep].rename( columns={ "sample_name": "sample", "library_name": "run_accession", @@ -436,7 +398,7 @@ def prepare_taxprofiler_table( } ) - return selected_libraries + return libraries @st.cache_data @@ -454,45 +416,33 @@ def prepare_aMeta_table( table_name (str): Name of the table supported_archives (list): list of supported archives """ - selected_libraries = get_libraries( - table_name=table_name, - samples=samples, - libraries=libraries, - supported_archives=supported_archives, - ) - selected_libraries["Colour_Chemistry"] = selected_libraries[ - "instrument_model" - ].apply(get_colour_chemistry) + libraries["Colour_Chemistry"] = libraries["instrument_model"].apply( + get_colour_chemistry + ) - selected_libraries[ - "UDG_Treatment" - ] = selected_libraries.library_treatment.str.split("-", expand=True)[0] + libraries["UDG_Treatment"] = libraries.library_treatment.str.split( + "-", expand=True + )[0] - selected_libraries["R1"] = selected_libraries["download_links"].apply( - get_filename, orientation="fwd" - ) + libraries["R1"] = libraries["download_links"].apply(get_filename, orientation="fwd") - selected_libraries["R2"] = selected_libraries["download_links"].apply( - get_filename, orientation="rev" - ) + libraries["R2"] = libraries["download_links"].apply(get_filename, orientation="rev") - selected_libraries["Lane"] = 0 - selected_libraries["SeqType"] = where( - selected_libraries["library_layout"] == "SINGLE", "SE", "PE" - ) - selected_libraries["BAM"] = "NA" + libraries["Lane"] = 0 + libraries["SeqType"] = where(libraries["library_layout"] == "SINGLE", "SE", "PE") + libraries["BAM"] = "NA" if table_name == "ancientmetagenome-environmental": - selected_libraries["sample_host"] = "environmental" + libraries["sample_host"] = "environmental" col2keep = ["archive_data_accession", "R1"] - selected_libraries = selected_libraries[col2keep].rename( + libraries = libraries[col2keep].rename( columns={ "archive_data_accession": "sample", "R1": "fastq", } ) - return selected_libraries + return libraries @st.cache_data diff --git a/AMDirT/viewer/streamlit.py b/AMDirT/viewer/streamlit.py index b8d820f..5051d1f 100644 --- a/AMDirT/viewer/streamlit.py +++ b/AMDirT/viewer/streamlit.py @@ -18,7 +18,7 @@ is_merge_size_zero, get_amdir_tags, get_libraries, - get_json_path + get_json_path, ) @@ -32,8 +32,10 @@ if "compute" not in st.session_state: st.session_state.compute = False -if "force_validation" not in st.session_state: - st.session_state.force_validation = False +if "force_samp_validation" not in st.session_state: + st.session_state.force_samp_validation = False +if "force_lib_validation" not in st.session_state: + st.session_state.force_lib_validation = False if "table_name" not in st.session_state: st.session_state.table_name = None @@ -41,10 +43,8 @@ def parse_args(): parser = argparse.ArgumentParser("Run Streamlit app") parser.add_argument( - "-c", - "--config", - help="json config file", - default=get_json_path()) + "-c", "--config", help="json config file", default=get_json_path() + ) try: args = parser.parse_args() except SystemExit as e: @@ -108,8 +108,8 @@ def parse_args(): lib_url, sep="\t", ) - gb = GridOptionsBuilder.from_dataframe(df) - gb.configure_default_column( + gbs = GridOptionsBuilder.from_dataframe(df) + gbs.configure_default_column( groupable=True, value=True, enableRowGroup=True, @@ -117,30 +117,54 @@ def parse_args(): editable=False, filterParams={"inRangeInclusive": "true"}, ) - gb.configure_selection(selection_mode="multiple", use_checkbox=True) - gb.configure_grid_options(checkboxSelection=True) + gbs.configure_selection(selection_mode="multiple", use_checkbox=True) + gbs.configure_grid_options(checkboxSelection=True) - gb.configure_pagination( + gbs.configure_pagination( enabled=True, paginationAutoPageSize=False, paginationPageSize=st.session_state.height, ) - gb.configure_column( + gbs.configure_column( "project_name", headerCheckboxSelection=True, headerCheckboxSelectionFilteredOnly=True, ) - gridOptions = gb.build() + gridOptions_sample = gbs.build() + + gbl = GridOptionsBuilder.from_dataframe(library) + gbl.configure_default_column( + groupable=True, + value=True, + enableRowGroup=True, + aggFunc="sum", + editable=False, + filterParams={"inRangeInclusive": "true"}, + ) + gbl.configure_selection(selection_mode="multiple", use_checkbox=True) + gbl.configure_grid_options(checkboxSelection=True) + + gbl.configure_pagination( + enabled=True, + paginationAutoPageSize=False, + paginationPageSize=st.session_state.height, + ) + gbl.configure_column( + "project_name", + headerCheckboxSelection=True, + headerCheckboxSelectionFilteredOnly=True, + ) + gridOptions_library = gbl.build() with st.form("Samples table") as f: st.markdown("Select samples to filter") df_mod = AgGrid( df, - gridOptions=gridOptions, + gridOptions=gridOptions_sample, data_return_mode="filtered", update_mode="selection_changed", ) - if st.form_submit_button("Validate selection", type="primary"): + if st.form_submit_button("Validate sample selection", type="primary"): if len(df_mod["selected_rows"]) == 0: st.error( "You didn't select any sample! Please select at least one sample." @@ -159,27 +183,66 @@ def parse_args(): ): nb_sel_samples = pd.DataFrame(df_mod["selected_rows"]).shape[0] st.write(f"{nb_sel_samples } sample{'s'[:nb_sel_samples^1]} selected") - st.session_state.force_validation = True + st.session_state.force_samp_validation = True + + placeholder_lib_table = st.empty() + with placeholder_lib_table.container(): + if st.session_state.force_samp_validation: + with st.form("Library table"): + st.markdown("Select libraries to filter") + libs = get_libraries( + table_name=st.session_state.table_name, + libraries=library, + samples=pd.DataFrame(df_mod["selected_rows"]), + supported_archives=supported_archives, + ) + print(libs) + lib_sel = AgGrid( + libs, + gridOptions=gridOptions_library, + data_return_mode="filtered", + update_mode="selection_changed", + ) + try: + lib_mod = pd.DataFrame(lib_sel["selected_rows"]).drop( + "_selectedRowNodeInfo", axis=1 + ) + except KeyError: + lib_mod = pd.DataFrame(lib_sel["selected_rows"]) + + if st.form_submit_button( + "Validate library selection", type="primary" + ): + if len(lib_mod) == 0: + st.error( + "You didn't select any library! Please select at least one library." + ) + else: + print("Selected libraries:\n\n\n\n") + print(lib_mod) + st.session_state.force_lib_validation = True - placeholder = st.empty() + placeholder_buttons = st.empty() - with placeholder.container(): - + with placeholder_buttons.container(): ( button_libraries, - button_fastq, - button_samplesheet_eager, + button_fastq, + button_samplesheet_eager, button_samplesheet_mag, - button_samplesheet_taxprofiler, + button_samplesheet_taxprofiler, button_samplesheet_ameta, - button_bibtex + button_bibtex, ) = st.columns(7) - - if st.session_state.force_validation: + + if ( + st.session_state.force_samp_validation + and st.session_state.force_lib_validation + ): # Calculate the fastq file size of the selected libraries acc_table = prepare_accession_table( pd.DataFrame(df_mod["selected_rows"]), - library, + lib_mod, st.session_state.table_name, supported_archives, )["df"] @@ -206,16 +269,9 @@ def parse_args(): with button_libraries: st.download_button( label="Download AncientMetagenomeDir Library Table", - data=get_libraries( - table_name=st.session_state.table_name, - libraries=library, - samples=pd.DataFrame(df_mod["selected_rows"]), - supported_archives=supported_archives, - ).drop( - col_drop, axis=1 - ) - .to_csv(sep="\t", index=False) - .encode("utf-8"), + data=( + lib_mod.drop(col_drop, axis=1).to_csv(sep="\t", index=False) + ).encode("utf-8"), file_name="AncientMetagenomeDir_filtered_libraries.csv", ) @@ -229,10 +285,10 @@ def parse_args(): help=f"approx. {total_size_str} of sequencing data selected", data=prepare_accession_table( pd.DataFrame(df_mod["selected_rows"]), - library, + lib_mod, st.session_state.table_name, supported_archives, - )["df"]['archive_accession'] + )["df"]["archive_accession"] .to_csv(sep="\t", header=False, index=False) .encode("utf-8"), file_name="AncientMetagenomeDir_nf_core_fetchngs_input_table.tsv", @@ -243,7 +299,7 @@ def parse_args(): help=f"approx. {total_size_str} of sequencing data selected", data=prepare_accession_table( pd.DataFrame(df_mod["selected_rows"]), - library, + lib_mod, st.session_state.table_name, supported_archives, )["aspera_script"], @@ -255,7 +311,7 @@ def parse_args(): help=f"approx. {total_size_str} of sequencing data selected", data=prepare_accession_table( pd.DataFrame(df_mod["selected_rows"]), - library, + lib_mod, st.session_state.table_name, supported_archives, )["curl_script"], @@ -270,7 +326,7 @@ def parse_args(): label="Download nf-core/eager input TSV", data=prepare_eager_table( pd.DataFrame(df_mod["selected_rows"]), - library, + lib_mod, st.session_state.table_name, supported_archives, ) @@ -283,27 +339,24 @@ def parse_args(): ## NF-CORE/MAG TABLE ## ####################### mag_table_single, mag_table_paired = prepare_mag_table( - pd.DataFrame(df_mod["selected_rows"]), - library, - st.session_state.table_name, - supported_archives, - ) + pd.DataFrame(df_mod["selected_rows"]), + lib_mod, + st.session_state.table_name, + supported_archives, + ) zip_file = zipfile.ZipFile( - 'ancientMetagenomeDir_mag_input.zip', mode='w') + "ancientMetagenomeDir_mag_input.zip", mode="w" + ) if not mag_table_single.empty: mag_table_single.to_csv( "nf_core_mag_input_single_table.csv", index=False - ) - zip_file.write( - 'nf_core_mag_input_single_table.csv' - ) + ) + zip_file.write("nf_core_mag_input_single_table.csv") if not mag_table_paired.empty: mag_table_paired.to_csv( "nf_core_mag_input_paired_table.csv", index=False - ) - zip_file.write( - 'nf_core_mag_input_paired_table.csv' - ) + ) + zip_file.write("nf_core_mag_input_paired_table.csv") zip_file.close() with open("ancientMetagenomeDir_mag_input.zip", "rb") as zip_file: with button_samplesheet_mag: @@ -322,7 +375,7 @@ def parse_args(): label="Download nf-core/taxprofiler input CSV", data=prepare_taxprofiler_table( pd.DataFrame(df_mod["selected_rows"]), - library, + lib_mod, st.session_state.table_name, supported_archives, ) @@ -339,7 +392,7 @@ def parse_args(): label="Download aMeta input TSV", data=prepare_aMeta_table( pd.DataFrame(df_mod["selected_rows"]), - library, + lib_mod, st.session_state.table_name, supported_archives, ) @@ -357,12 +410,18 @@ def parse_args(): data=prepare_bibtex_file(pd.DataFrame(df_mod["selected_rows"])), file_name="AncientMetagenomeDir_bibliography.bib", ) - - st.markdown("ℹ️ _By default all download scripts/inputs include ALL libraries of the selected samples. \n Review the AncientMetagenomeDir library table prior using any other table, to ensure usage of relevant libraries!_") - st.markdown("⚠️ _We provide no warranty to the accuracy of the generated input sheets._") + + st.markdown( + "ℹ️ _By default all download scripts/inputs include ALL libraries of the selected samples. \n Review the AncientMetagenomeDir library table prior using any other table, to ensure usage of relevant libraries!_" + ) + st.markdown( + "⚠️ _We provide no warranty to the accuracy of the generated input sheets._" + ) if st.button("Start New Selection", type="primary"): st.session_state.compute = False st.session_state.table_name = "No table selected" - st.session_state.force_validation = False - placeholder.empty() + st.session_state.force_samp_validation = False + st.session_state.force_lib_validation = False + placeholder_buttons.empty() + placeholder_lib_table.empty() From 2cbda822258d15ab5cb85e63d061a29e87a477fa Mon Sep 17 00:00:00 2001 From: maxibor Date: Fri, 15 Dec 2023 16:39:26 +0100 Subject: [PATCH 35/69] remove prints --- AMDirT/viewer/streamlit.py | 3 --- 1 file changed, 3 deletions(-) diff --git a/AMDirT/viewer/streamlit.py b/AMDirT/viewer/streamlit.py index 1155202..07bda6f 100644 --- a/AMDirT/viewer/streamlit.py +++ b/AMDirT/viewer/streamlit.py @@ -196,7 +196,6 @@ def parse_args(): samples=pd.DataFrame(df_mod["selected_rows"]), supported_archives=supported_archives, ) - print(libs) lib_sel = AgGrid( libs, gridOptions=gridOptions_library, @@ -218,8 +217,6 @@ def parse_args(): "You didn't select any library! Please select at least one library." ) else: - print("Selected libraries:\n\n\n\n") - print(lib_mod) st.session_state.force_lib_validation = True placeholder_buttons = st.empty() From 758ea6b950f8252545fcb2c60d6c64bdf15bd131 Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 18 Dec 2023 12:05:08 +0100 Subject: [PATCH 36/69] fix convert and remove mag files always written --- AMDirT/convert/__init__.py | 42 ++++++++-------- AMDirT/core/__init__.py | 3 +- AMDirT/viewer/streamlit.py | 69 ++++++++++++++++----------- tests/data/data_test_convert.tsv | 3 -- tests/data/libraries_test_convert.tsv | 3 ++ tests/data/samples_test_convert.tsv | 3 ++ tests/test_convert.py | 4 +- 7 files changed, 74 insertions(+), 53 deletions(-) delete mode 100644 tests/data/data_test_convert.tsv create mode 100644 tests/data/libraries_test_convert.tsv create mode 100644 tests/data/samples_test_convert.tsv diff --git a/AMDirT/convert/__init__.py b/AMDirT/convert/__init__.py index e417e40..4ca4565 100644 --- a/AMDirT/convert/__init__.py +++ b/AMDirT/convert/__init__.py @@ -58,7 +58,16 @@ def run_convert( samples = pd.read_csv(samples, sep="\t") libraries = pd.read_csv(tables["libraries"][table_name], sep="\t") - logger.warning("We provide no warranty to the accuracy of the generated input sheets.") + selected_libraries = get_libraries( + samples=samples, + libraries=libraries, + table_name=table_name, + supported_archives=supported_archives, + ) + + logger.warning( + "We provide no warranty to the accuracy of the generated input sheets." + ) if bibliography == True: logger.info("Preparing Bibtex citation file") @@ -72,14 +81,7 @@ def run_convert( if librarymetadata == True: logger.info("Writing filtered libraries table") - librarymetadata = get_libraries( - samples=samples, - libraries=libraries, - table_name=table_name, - supported_archives=supported_archives, - ).drop( - col_drop, axis=1 - ) + librarymetadata = selected_libraries.drop(col_drop, axis=1) librarymetadata.to_csv( f"{output}/AncientMetagenomeDir_filtered_libraries.tsv", sep="\t", @@ -90,7 +92,7 @@ def run_convert( logger.info("Writing curl download script") accession_table = prepare_accession_table( samples=samples, - libraries=libraries, + libraries=selected_libraries, table_name=table_name, supported_archives=supported_archives, ) @@ -104,7 +106,7 @@ def run_convert( ) accession_table = prepare_accession_table( samples=samples, - libraries=libraries, + libraries=selected_libraries, table_name=table_name, supported_archives=supported_archives, ) @@ -117,11 +119,11 @@ def run_convert( logger.info("Preparing nf-core/fetchngs table") accession_table = prepare_accession_table( samples=samples, - libraries=libraries, + libraries=selected_libraries, table_name=table_name, supported_archives=supported_archives, ) - accession_table["df"]['archive_accession'].to_csv( + accession_table["df"]["archive_data_accession"].to_csv( f"{output}/AncientMetagenomeDir_nf_core_fetchngs_input_table.tsv", sep="\t", header=False, @@ -132,7 +134,7 @@ def run_convert( logger.info("Preparing nf-core/eager table") eager_table = prepare_eager_table( samples=samples, - libraries=libraries, + libraries=selected_libraries, table_name=table_name, supported_archives=supported_archives, ) @@ -146,11 +148,11 @@ def run_convert( logger.info("Preparing nf-core/taxprofiler table") accession_table = prepare_taxprofiler_table( samples=samples, - libraries=libraries, + libraries=selected_libraries, table_name=table_name, supported_archives=supported_archives, ) - accession_table["df"].to_csv( + accession_table.to_csv( f"{output}/AncientMetagenomeDir_nf_core_taxprofiler_input_table.csv", header=False, index=False, @@ -158,10 +160,12 @@ def run_convert( if ameta == True: logger.info("Preparing aMeta table") - logger.warning("aMeta does not support pairs. You must manually merge pair-end data before using samplesheet.") + logger.warning( + "aMeta does not support pairs. You must manually merge pair-end data before using samplesheet." + ) aMeta_table = prepare_aMeta_table( samples=samples, - libraries=libraries, + libraries=selected_libraries, table_name=table_name, supported_archives=supported_archives, ) @@ -175,7 +179,7 @@ def run_convert( logger.info("Preparing nf-core/mag table") mag_table_single, mag_table_paired = prepare_mag_table( samples=samples, - libraries=libraries, + libraries=selected_libraries, table_name=table_name, supported_archives=supported_archives, ) diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index 07c8daf..528fbb2 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -301,7 +301,6 @@ def prepare_accession_table( # ) # Downloading with curl or aspera instead of fetchngs - print(libraries.columns) urls = set(libraries["download_links"]) links = set() for u in urls: @@ -324,7 +323,7 @@ def prepare_accession_table( ) return { - "df": libraries[["archive_accession", "download_sizes"]].drop_duplicates(), + "df": libraries[["archive_data_accession", "download_sizes"]].drop_duplicates(), "curl_script": dl_script_header + curl_script, "aspera_script": dl_script_header + aspera_script, } diff --git a/AMDirT/viewer/streamlit.py b/AMDirT/viewer/streamlit.py index 07bda6f..2a83be5 100644 --- a/AMDirT/viewer/streamlit.py +++ b/AMDirT/viewer/streamlit.py @@ -1,7 +1,7 @@ from numpy import ALLOW_THREADS import streamlit as st import pandas as pd - +import os from st_aggrid import GridOptionsBuilder, AgGrid, GridUpdateMode, DataReturnMode, JsCode import argparse import zipfile @@ -265,10 +265,10 @@ def parse_args(): data=( pd.DataFrame(df_mod["selected_rows"]) .drop("_selectedRowNodeInfo", axis=1) - .to_csv(sep=",", index=False) + .to_csv(sep="\t", index=False) .encode("utf-8") ), - file_name="AncientMetagenomeDir_filtered_samples.csv", + file_name="AncientMetagenomeDir_filtered_samples.tsv", ) ################### @@ -286,7 +286,7 @@ def parse_args(): data=( lib_mod.drop(col_drop, axis=1).to_csv(sep="\t", index=False) ).encode("utf-8"), - file_name="AncientMetagenomeDir_filtered_libraries.csv", + file_name="AncientMetagenomeDir_filtered_libraries.tsv", ) ############################ @@ -349,37 +349,52 @@ def parse_args(): file_name="AncientMetagenomeDir_nf_core_eager_input_table.tsv", ) - ####################### - ## NF-CORE/MAG TABLE ## - ####################### - mag_table_single, mag_table_paired = prepare_mag_table( - pd.DataFrame(df_mod["selected_rows"]), - lib_mod, - st.session_state.table_name, - supported_archives, - ) - zip_file = zipfile.ZipFile( - "ancientMetagenomeDir_mag_input.zip", mode="w" - ) - if not mag_table_single.empty: - mag_table_single.to_csv( - "nf_core_mag_input_single_table.csv", index=False + ####################### + ## NF-CORE/MAG TABLE ## + ####################### + with button_samplesheet_mag: + mag_table_single, mag_table_paired = prepare_mag_table( + pd.DataFrame(df_mod["selected_rows"]), + lib_mod, + st.session_state.table_name, + supported_archives, ) - zip_file.write("nf_core_mag_input_single_table.csv") - if not mag_table_paired.empty: - mag_table_paired.to_csv( - "nf_core_mag_input_paired_table.csv", index=False + zip_file = zipfile.ZipFile( + "AncientMetagenomeDir_nf_core_mag_input.zip", mode="w" ) - zip_file.write("nf_core_mag_input_paired_table.csv") - zip_file.close() - with open("ancientMetagenomeDir_mag_input.zip", "rb") as zip_file: - with button_samplesheet_mag: + if not mag_table_single.empty: + mag_table_single.to_csv( + "AncientMetagenomeDir_nf_core_mag_input_single_table.csv", + index=False, + ) + zip_file.write( + "AncientMetagenomeDir_nf_core_mag_input_single_table.csv" + ) + os.remove( + "AncientMetagenomeDir_nf_core_mag_input_single_table.csv" + ) + if not mag_table_paired.empty: + mag_table_paired.to_csv( + "AncientMetagenomeDir_nf_core_mag_input_paired_table.csv", + index=False, + ) + zip_file.write( + "AncientMetagenomeDir_nf_core_mag_input_paired_table.csv" + ) + os.remove( + "AncientMetagenomeDir_nf_core_mag_input_paired_table.csv" + ) + zip_file.close() + with open( + "AncientMetagenomeDir_nf_core_mag_input.zip", "rb" + ) as zip_file: st.download_button( label="Download nf-core/mag input CSV", data=zip_file, file_name="AncientMetagenomeDir_nf_core_mag_input.zip", mime="application/zip", ) + os.remove("AncientMetagenomeDir_nf_core_mag_input.zip") ####################### ## TAXPROFILER TABLE ## diff --git a/tests/data/data_test_convert.tsv b/tests/data/data_test_convert.tsv deleted file mode 100644 index d1470f6..0000000 --- a/tests/data/data_test_convert.tsv +++ /dev/null @@ -1,3 +0,0 @@ -project_name publication_year publication_doi site_name latitude longitude geo_loc_name study_primary_focus sequence_name depth sample_name sample_age sample_age_doi feature material sampling_date archive archive_project archive_accession -Ahmed2018 2018 10.1016/j.quascirev.2017.11.037 Hässeldala Port 56.16 15.01 Sweden microbial Sediment core #7.4 435 HA1.1 13900 10.3389/fevo.2019.00189 lake lake sediment 2015 ENA PRJNA378719 SRS2040659 -Ahmed2018 2018 10.1016/j.quascirev.2017.11.037 Hässeldala Port 56.16 15.01 Sweden microbial Sediment core #7.4 435 HA1.12 13900 \ No newline at end of file diff --git a/tests/data/libraries_test_convert.tsv b/tests/data/libraries_test_convert.tsv new file mode 100644 index 0000000..dc13a87 --- /dev/null +++ b/tests/data/libraries_test_convert.tsv @@ -0,0 +1,3 @@ +project_name publication_year data_publication_doi sample_name archive archive_project archive_sample_accession library_name strand_type library_polymerase library_treatment library_concentration instrument_model library_layout library_strategy read_count archive_data_accession download_links download_md5s download_sizes +Warinner2014 2014 10.1038/ng.2906 B61 SRA PRJNA216965 SRS473742 S1-Shot-B61-calc double Phusion HS II DNA none Illumina HiSeq 2000 SINGLE WGS 13228381 SRR957738 ftp.sra.ebi.ac.uk/vol1/fastq/SRR957/SRR957738/SRR957738.fastq.gz 9c40c43b5d455e760ae8db924347f0b2 953396663 +Weyrich2017 2017 10.1038/nature21674 ElSidron1 SRA PRJNA685265 SRS7890498 ElSidron1_12056 double Unknown none Illumina HiSeq 2500 PAIRED WGS 53186534 SRR13263123 ftp.sra.ebi.ac.uk/vol1/fastq/SRR132/023/SRR13263123/SRR13263123_1.fastq.gz;ftp.sra.ebi.ac.uk/vol1/fastq/SRR132/023/SRR13263123/SRR13263123_2.fastq.gz e70fb68658e6e66a60ae4d289666bc03;15a9cbc5c9a1234978c220df8e91c4e7 3533496739;4013394642 diff --git a/tests/data/samples_test_convert.tsv b/tests/data/samples_test_convert.tsv new file mode 100644 index 0000000..7e86465 --- /dev/null +++ b/tests/data/samples_test_convert.tsv @@ -0,0 +1,3 @@ +project_name publication_year publication_doi site_name latitude longitude geo_loc_name sample_name sample_host sample_age sample_age_doi community_type material archive archive_project archive_accession +Warinner2014 2014 10.1038/ng.2906 Dalheim 51.565 8.84 Germany B61 Homo sapiens 900 10.1038/ng.2906 oral dental calculus SRA PRJNA216965 SRS473742,SRS473743,SRS473744,SRS473745 +Weyrich2017 2017 10.1038/nature21674 El Sidrón Cave 43.386 -5.328 Spain ElSidron1 Homo sapiens neanderthalensis 49000 10.1038/nature21674 oral dental calculus SRA PRJNA685265 SRS7890498 diff --git a/tests/test_convert.py b/tests/test_convert.py index 49c13ec..4f81326 100644 --- a/tests/test_convert.py +++ b/tests/test_convert.py @@ -9,8 +9,8 @@ def test_convert(test_data_dir): assert ( run_convert( - samples=os.path.join(test_data_dir, "data_test_convert.tsv"), - table_name="ancientmetagenome-environmental", + samples=os.path.join(test_data_dir, "samples_test_convert.tsv"), + table_name="ancientmetagenome-hostassociated", eager=True, fetchngs=True, ameta=True, From 54b01f211a143dee911615571fd37ccae19b2b6a Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 18 Dec 2023 13:58:58 +0100 Subject: [PATCH 37/69] feat: add download with sratoolkit/fasterq-dump --- AMDirT/__init__.py | 2 +- AMDirT/cli.py | 48 ++++++++++--------- AMDirT/convert/__init__.py | 96 ++++++++++++++++++++++---------------- AMDirT/core/__init__.py | 5 ++ AMDirT/viewer/streamlit.py | 17 ++++++- 5 files changed, 101 insertions(+), 67 deletions(-) diff --git a/AMDirT/__init__.py b/AMDirT/__init__.py index bde0031..5b60188 100644 --- a/AMDirT/__init__.py +++ b/AMDirT/__init__.py @@ -1 +1 @@ -__version__ = "1.4.6" +__version__ = "1.5.0" diff --git a/AMDirT/cli.py b/AMDirT/cli.py index 74562f4..f543579 100644 --- a/AMDirT/cli.py +++ b/AMDirT/cli.py @@ -139,14 +139,19 @@ def viewer(ctx, no_args_is_help=True, **kwargs): help="Generate bash script with Aspera-based download commands for all libraries of samples in input table", ) @click.option( - "--eager", + "--fetchngs", is_flag=True, - help="Convert filtered samples and libraries tables to eager input tables", + help="Convert filtered samples and libraries tables to nf-core/fetchngs input tables", ) @click.option( - "--fetchngs", + "--sratoolkit", is_flag=True, - help="Convert filtered samples and libraries tables to nf-core/fetchngs input tables", + help="Generate bash script with SRA Toolkit fasterq-dump based download commands for all libraries of samples in input table", +) +@click.option( + "--eager", + is_flag=True, + help="Convert filtered samples and libraries tables to eager input tables", ) @click.option( "--ameta", @@ -178,26 +183,27 @@ def convert(ctx, no_args_is_help=True, **kwargs): # Autofill tool # ################# + @cli.command() @click.argument("accession", type=str, nargs=-1) @click.option( "-n", - "--table_name", + "--table_name", type=click.Choice(get_table_list()), - default='ancientmetagenome-hostassociated', - show_default=True + default="ancientmetagenome-hostassociated", + show_default=True, ) @click.option( "-l", "--library_output", type=click.Path(writable=True), - help="path to library output table file" + help="path to library output table file", ) @click.option( "-s", "--sample_output", type=click.Path(writable=True), - help="path to sample output table file" + help="path to sample output table file", ) @click.pass_context def autofill(ctx, no_args_is_help=True, **kwargs): @@ -219,31 +225,26 @@ def autofill(ctx, no_args_is_help=True, **kwargs): @click.argument("dataset", type=click.Path(exists=True)) @click.option( "-n", - "--table_name", + "--table_name", type=click.Choice(get_table_list()), - default='ancientmetagenome-hostassociated', - show_default=True + default="ancientmetagenome-hostassociated", + show_default=True, ) @click.option( "-t", - "--table_type", - type=click.Choice(['samples', 'libraries']), - default='libraries', - show_default=True -) -@click.option( - "-m", - "--markdown", - is_flag=True, - help="Output is in markdown format" + "--table_type", + type=click.Choice(["samples", "libraries"]), + default="libraries", + show_default=True, ) +@click.option("-m", "--markdown", is_flag=True, help="Output is in markdown format") @click.option( "-o", "--outdir", type=click.Path(writable=True), default=".", show_default=True, - help="path to sample output table file" + help="path to sample output table file", ) @click.pass_context def merge(ctx, no_args_is_help=True, **kwargs): @@ -255,5 +256,6 @@ def merge(ctx, no_args_is_help=True, **kwargs): """ merge_new_df(**kwargs, **ctx.obj) + if __name__ == "__main__": cli() diff --git a/AMDirT/convert/__init__.py b/AMDirT/convert/__init__.py index 4ca4565..71b11e2 100644 --- a/AMDirT/convert/__init__.py +++ b/AMDirT/convert/__init__.py @@ -28,6 +28,7 @@ def run_convert( aspera=False, eager=False, fetchngs=False, + sratoolkit=False, ameta=False, taxprofiler=False, mag=False, @@ -65,13 +66,21 @@ def run_convert( supported_archives=supported_archives, ) + accession_table = prepare_accession_table( + samples=samples, + libraries=selected_libraries, + table_name=table_name, + supported_archives=supported_archives, + ) + logger.warning( "We provide no warranty to the accuracy of the generated input sheets." ) if bibliography == True: - logger.info("Preparing Bibtex citation file") - with open(f"{output}/AncientMetagenomeDir_bibliography.bib", "w") as fw: + bibfile = f"{output}/AncientMetagenomeDir_bibliography.bib" + logger.info(f"Writing Bibtex citation file to {bibfile}") + with open(bibfile, "w") as fw: fw.write(prepare_bibtex_file(samples)) if table_name in ["ancientmetagenome-environmental"]: @@ -80,58 +89,48 @@ def run_convert( col_drop = ["archive_accession", "sample_host"] if librarymetadata == True: - logger.info("Writing filtered libraries table") + tbl_file = f"{output}/AncientMetagenomeDir_filtered_libraries.tsv" + logger.info(f"Writing filtered libraries table to {tbl_file}") librarymetadata = selected_libraries.drop(col_drop, axis=1) librarymetadata.to_csv( - f"{output}/AncientMetagenomeDir_filtered_libraries.tsv", + tbl_file, sep="\t", index=False, ) if curl == True: - logger.info("Writing curl download script") - accession_table = prepare_accession_table( - samples=samples, - libraries=selected_libraries, - table_name=table_name, - supported_archives=supported_archives, - ) - with open(f"{output}/AncientMetagenomeDir_curl_download_script.sh", "w") as fw: + dl_file = f"{output}/AncientMetagenomeDir_curl_download_script.sh" + logger.info(f"Writing curl download script to {dl_file}") + with open(dl_file, "w") as fw: fw.write(accession_table["curl_script"]) if aspera == True: - logger.info("Writing Aspera download script") + dl_file = f"{output}/AncientMetagenomeDir_aspera_download_script.sh" + logger.info(f"Writing Aspera download script to {dl_file}") logger.warning( "You will need to set the ${ASPERA_PATH} environment variable. See https://amdirt.readthedocs.io for more information." ) - accession_table = prepare_accession_table( - samples=samples, - libraries=selected_libraries, - table_name=table_name, - supported_archives=supported_archives, - ) - with open( - f"{output}/AncientMetagenomeDir_aspera_download_script.sh", "w" - ) as fw: + with open(dl_file, "w") as fw: fw.write(accession_table["aspera_script"]) if fetchngs == True: - logger.info("Preparing nf-core/fetchngs table") - accession_table = prepare_accession_table( - samples=samples, - libraries=selected_libraries, - table_name=table_name, - supported_archives=supported_archives, - ) + dl_file = f"{output}/AncientMetagenomeDir_nf_core_fetchngs_download_script.sh" + logger.info(f"Writing nf-core/fetchngs table to {dl_file}") accession_table["df"]["archive_data_accession"].to_csv( - f"{output}/AncientMetagenomeDir_nf_core_fetchngs_input_table.tsv", + dl_file, sep="\t", header=False, index=False, ) + if sratoolkit == True: + dl_file = f"{output}/AncientMetagenomeDir_sratoolkit_download_script.sh" + logger.info(f"Writing sratoolkit/fasterq-dump download script to {dl_file}") + with open(dl_file, "w") as fw: + fw.write(accession_table["fasterq_dump_script"]) if eager == True: - logger.info("Preparing nf-core/eager table") + tbl_file = f"{output}/AncientMetagenomeDir_nf_core_eager_input_table.tsv" + logger.info(f"Writing nf-core/eager table to {tbl_file}") eager_table = prepare_eager_table( samples=samples, libraries=selected_libraries, @@ -139,27 +138,29 @@ def run_convert( supported_archives=supported_archives, ) eager_table.to_csv( - f"{output}/AncientMetagenomeDir_nf_core_eager_input_table.tsv", + tbl_file, sep="\t", index=False, ) if taxprofiler == True: - logger.info("Preparing nf-core/taxprofiler table") - accession_table = prepare_taxprofiler_table( + tbl_file = f"{output}/AncientMetagenomeDir_nf_core_taxprofiler_input_table.csv" + logger.info(f"Writing nf-core/taxprofiler table to {tbl_file}") + taxprofiler_table = prepare_taxprofiler_table( samples=samples, libraries=selected_libraries, table_name=table_name, supported_archives=supported_archives, ) - accession_table.to_csv( - f"{output}/AncientMetagenomeDir_nf_core_taxprofiler_input_table.csv", + taxprofiler_table.to_csv( + tbl_file, header=False, index=False, ) if ameta == True: - logger.info("Preparing aMeta table") + tbl_file = f"{output}/AncientMetagenomeDir_aMeta_input_table.tsv" + logger.info(f"Writing aMeta table to {tbl_file}") logger.warning( "aMeta does not support pairs. You must manually merge pair-end data before using samplesheet." ) @@ -169,14 +170,15 @@ def run_convert( table_name=table_name, supported_archives=supported_archives, ) + aMeta_table.to_csv( - f"{output}/AncientMetagenomeDir_aMeta_input_table.tsv", + tbl_file, sep="\t", index=False, ) if mag == True: - logger.info("Preparing nf-core/mag table") + logger.info("Preparing nf-core/mag table(s)") mag_table_single, mag_table_paired = prepare_mag_table( samples=samples, libraries=selected_libraries, @@ -184,12 +186,24 @@ def run_convert( supported_archives=supported_archives, ) if not mag_table_single.empty: + mag_tbl_single_file = ( + f"{output}/AncientMetagenomeDir_nf_core_mag_input_single_table.csv" + ) + logger.info( + f"Writing nf-core/mag single-end table to {mag_tbl_single_file}" + ) mag_table_single.to_csv( - f"{output}/AncientMetagenomeDir_nf_core_mag_input_single_table.csv", + mag_tbl_single_file, index=False, ) if not mag_table_paired.empty: + mag_tbl_paired_file = ( + f"{output}/AncientMetagenomeDir_nf_core_mag_input_paired_table.csv" + ) + logger.info( + f"Writing nf-core/mag paired-end table to {mag_tbl_paired_file}" + ) mag_table_paired.to_csv( - f"{output}/AncientMetagenomeDir_nf_core_mag_input_paired_table.csv", + mag_tbl_paired_file, index=False, ) diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index 528fbb2..f2e74e6 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -302,6 +302,7 @@ def prepare_accession_table( # Downloading with curl or aspera instead of fetchngs urls = set(libraries["download_links"]) + accessions = set(libraries["archive_data_accession"]) links = set() for u in urls: for s in u.split(";"): @@ -321,11 +322,15 @@ def prepare_accession_table( ) + "\n" ) + fasterq_dump_script = ( + "\n".join([f"fasterq-dump --split-files -p {a}" for a in accessions]) + "\n" + ) return { "df": libraries[["archive_data_accession", "download_sizes"]].drop_duplicates(), "curl_script": dl_script_header + curl_script, "aspera_script": dl_script_header + aspera_script, + "fasterq_dump_script": dl_script_header + fasterq_dump_script, } diff --git a/AMDirT/viewer/streamlit.py b/AMDirT/viewer/streamlit.py index 2a83be5..38c3fbd 100644 --- a/AMDirT/viewer/streamlit.py +++ b/AMDirT/viewer/streamlit.py @@ -77,10 +77,11 @@ def parse_args(): options = ["No table selected"] + list(samples.keys()) st.session_state.table_name = st.selectbox(label="Select a table", options=options) st.session_state.height = st.selectbox( - "Number of rows to display", (10, 20, 50, 100, 200), index=2 + "Number of rows to display", (10, 20, 50, 100, 200), index=1 ) st.session_state.dl_method = st.selectbox( - label="Data download method", options=["curl", "nf-core/fetchngs", "aspera"] + label="Data download method", + options=["curl", "nf-core/fetchngs", "aspera", "sratookit"], ) if st.session_state.dl_method == "aspera": st.warning( @@ -319,6 +320,18 @@ def parse_args(): )["aspera_script"], file_name="AncientMetagenomeDir_aspera_download_script.sh", ) + elif st.session_state.dl_method == "sratookit": + st.download_button( + label="Download SRAtoolkit/fasterq-dump sample download script", + help=f"approx. {total_size_str} of sequencing data selected", + data=prepare_accession_table( + pd.DataFrame(df_mod["selected_rows"]), + lib_mod, + st.session_state.table_name, + supported_archives, + )["fasterq_dump_script"], + file_name="AncientMetagenomeDir_sratoolkit_download_script.sh", + ) else: st.download_button( label="Download Curl sample download script", From 7bb6b551bc988e1831acced2d6aa1fedf65359cc Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 18 Dec 2023 14:31:16 +0100 Subject: [PATCH 38/69] feat: add sample column check in convert --- AMDirT/convert/__init__.py | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/AMDirT/convert/__init__.py b/AMDirT/convert/__init__.py index 71b11e2..e82c743 100644 --- a/AMDirT/convert/__init__.py +++ b/AMDirT/convert/__init__.py @@ -58,6 +58,14 @@ def run_convert( logger.info(f"Table '{table_name}' not found in {table_list}") samples = pd.read_csv(samples, sep="\t") libraries = pd.read_csv(tables["libraries"][table_name], sep="\t") + ref_sample_tbl = pd.read_csv(tables["samples"][table_name], sep="\t") + + diff_columns = set(samples.columns).difference(set(ref_sample_tbl.columns)) + if len(diff_columns) != 0: + logger.error( + f"Columns in input sample table do not match columns in reference {table_name} table. Please check your input table.\n Differing columns: {diff_columns}" + ) + raise SystemExit(1) selected_libraries = get_libraries( samples=samples, From 2fc3e059bc7207f57e5900b9f140edee031baf33 Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 18 Dec 2023 14:47:54 +0100 Subject: [PATCH 39/69] feat: add input sample table validation --- AMDirT/convert/__init__.py | 50 ++++++++++++++++++++++++-------------- AMDirT/core/__init__.py | 8 ++++++ AMDirT/merge/__init__.py | 35 ++++++++++++++------------ 3 files changed, 60 insertions(+), 33 deletions(-) diff --git a/AMDirT/convert/__init__.py b/AMDirT/convert/__init__.py index e82c743..572457d 100644 --- a/AMDirT/convert/__init__.py +++ b/AMDirT/convert/__init__.py @@ -9,8 +9,11 @@ is_merge_size_zero, prepare_taxprofiler_table, get_libraries, + get_remote_resources, + get_json_path, ) -from AMDirT.core import get_json_path +from AMDirT.validate import AMDirValidator +from AMDirT.validate.exceptions import DatasetValidationError from json import load from AMDirT.core import logger import pandas as pd @@ -47,25 +50,36 @@ def run_convert( if not verbose: warnings.filterwarnings("ignore") supported_archives = ["ENA", "SRA"] + + # Validate input table if tables is None: - table_path = get_json_path() + remote_resources = get_remote_resources() else: - table_path = tables - with open(table_path, "r") as f: - tables = load(f) - table_list = list(tables["samples"].keys()) - if table_name not in table_list: - logger.info(f"Table '{table_name}' not found in {table_list}") - samples = pd.read_csv(samples, sep="\t") - libraries = pd.read_csv(tables["libraries"][table_name], sep="\t") - ref_sample_tbl = pd.read_csv(tables["samples"][table_name], sep="\t") - - diff_columns = set(samples.columns).difference(set(ref_sample_tbl.columns)) - if len(diff_columns) != 0: - logger.error( - f"Columns in input sample table do not match columns in reference {table_name} table. Please check your input table.\n Differing columns: {diff_columns}" - ) - raise SystemExit(1) + with open(tables, "r") as f: + remote_resources = load(f) + + if table_name not in remote_resources["samples"]: + raise ValueError(f"{table_name} not found in AncientMetagenomeDir file") + if not verbose: + warnings.filterwarnings("ignore") + + schema = remote_resources[f"samples_schema"][table_name] + dataset_valid = list() + v = AMDirValidator(schema, samples) + dataset_valid.append(v.parsing_ok) + if v.parsing_ok: + dataset_valid.append(v.validate_schema()) + dataset_valid.append(v.check_duplicate_rows()) + dataset_valid.append(v.check_columns()) + + dataset_valid = all(dataset_valid) + if dataset_valid is False: + v.to_rich() + raise DatasetValidationError("Input sample dataset is not valid") + else: + logger.info("Input sample dataset is valid") + samples = pd.read_csv(samples, sep="\t") + libraries = pd.read_csv(remote_resources["libraries"][table_name], sep="\t") selected_libraries = get_libraries( samples=samples, diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index f2e74e6..4eb3c3f 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -9,6 +9,8 @@ import os import logging import colorlog +from json import load + pd.options.mode.chained_assignment = None @@ -45,6 +47,12 @@ def get_json_path(): return path +def get_remote_resources(): + json_path = get_json_path() + with open(json_path, "r") as f: + return load(f) + + @st.cache_data def get_amdir_tags(): r = requests.get( diff --git a/AMDirT/merge/__init__.py b/AMDirT/merge/__init__.py index 5a63996..5302ece 100644 --- a/AMDirT/merge/__init__.py +++ b/AMDirT/merge/__init__.py @@ -2,15 +2,9 @@ from AMDirT.validate.exceptions import DatasetValidationError import warnings import pandas as pd -from AMDirT.core import logger, get_json_path -from json import load +from AMDirT.core import logger, get_remote_resources from os.path import join -def get_remote_resources(): - json_path = get_json_path() - with open(json_path, "r") as f: - return load(f) - def merge_new_df( dataset, @@ -22,7 +16,7 @@ def merge_new_df( schema_check=True, line_dup=True, columns=True, -): +): """Merge a new dataset with the remote master dataset Args: @@ -40,10 +34,10 @@ def merge_new_df( ValueError: Table type must be either 'samples' or 'libraries' ValueError: Table name not found in AncientMetagenomeDir file DatasetValidationError: New dataset is not valid - """ + """ remote_resources = get_remote_resources() - if table_type not in ['samples', 'libraries']: + if table_type not in ["samples", "libraries"]: raise ValueError("table_type must be either 'samples' or 'libraries'") if table_name not in remote_resources[table_type]: raise ValueError("table_name not found in AncientMetagenomeDir file") @@ -68,13 +62,24 @@ def merge_new_df( else: v.to_rich() raise DatasetValidationError("New Dataset is not valid") - + else: - remote_dataset = pd.read_table(remote_resources[table_type][table_name], dtype=dict(v.dataset.dtypes)) + remote_dataset = pd.read_table( + remote_resources[table_type][table_name], dtype=dict(v.dataset.dtypes) + ) logger.info("New Dataset is valid") - logger.info(f"Merging new dataset with remote {table_name} {table_type} dataset") + logger.info( + f"Merging new dataset with remote {table_name} {table_type} dataset" + ) dataset = pd.concat([remote_dataset, v.dataset]) dataset.drop_duplicates(inplace=True) - dataset.to_csv(join(outdir,f"{table_name}_{table_type}.tsv"), sep="\t", na_rep= "NA", index=False) - logger.info(f"New {table_name} {table_type} dataset written to {join(outdir,f'{table_name}_{table_type}.tsv')}") + dataset.to_csv( + join(outdir, f"{table_name}_{table_type}.tsv"), + sep="\t", + na_rep="NA", + index=False, + ) + logger.info( + f"New {table_name} {table_type} dataset written to {join(outdir,f'{table_name}_{table_type}.tsv')}" + ) From f23b0deedf12665502175c2e5f0df42984b41147 Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 12 Feb 2024 15:52:18 +0100 Subject: [PATCH 40/69] feat: add libraries input to convert --- AMDirT/cli.py | 44 +++++++++++++++++++++++++++++++++----- AMDirT/convert/__init__.py | 37 +++++++++++++++++++++++++------- 2 files changed, 68 insertions(+), 13 deletions(-) diff --git a/AMDirT/cli.py b/AMDirT/cli.py index f543579..9626cc9 100644 --- a/AMDirT/cli.py +++ b/AMDirT/cli.py @@ -10,6 +10,31 @@ from json import load +class MutuallyExclusiveOption(click.Option): + # Credits goes to Stan Chang for this code snippet + # https://gist.github.com/stanchan/bce1c2d030c76fe9223b5ff6ad0f03db + + def __init__(self, *args, **kwargs): + self.mutually_exclusive = set(kwargs.pop("mutually_exclusive", [])) + help = kwargs.get("help", "") + if self.mutually_exclusive: + ex_str = ", ".join(self.mutually_exclusive) + kwargs["help"] = help + ( + " NOTE: This argument is mutually exclusive with " + " arguments: [" + ex_str + "]." + ) + super(MutuallyExclusiveOption, self).__init__(*args, **kwargs) + + def handle_parse_result(self, ctx, opts, args): + if self.mutually_exclusive.intersection(opts) and self.name in opts: + raise click.UsageError( + "Illegal usage: `{}` is mutually exclusive with " + "arguments `{}`.".format(self.name, ", ".join(self.mutually_exclusive)) + ) + + return super(MutuallyExclusiveOption, self).handle_parse_result(ctx, opts, args) + + def get_table_list(): json_path = get_json_path() with open(json_path, "r") as f: @@ -110,6 +135,20 @@ def viewer(ctx, no_args_is_help=True, **kwargs): type=click.Path(exists=True), help="(Optional) JSON file listing AncientMetagenomeDir tables", ) +@click.option( + "--libraries", + type=click.Path(readable=True, file_okay=True, dir_okay=False, exists=True), + help=("(Optional) Path to libraries table"), + cls=MutuallyExclusiveOption, + mutually_exclusive=["librarymetadata"], +) +@click.option( + "--librarymetadata", + is_flag=True, + help="Generate AncientMetagenomeDir libraries table of all samples in input table", + cls=MutuallyExclusiveOption, + mutually_exclusive=["libraries"], +) @click.option( "-o", "--output", @@ -123,11 +162,6 @@ def viewer(ctx, no_args_is_help=True, **kwargs): is_flag=True, help="Generate BibTeX file of all publications in input table", ) -@click.option( - "--librarymetadata", - is_flag=True, - help="Generate AncientMetagenomeDir libraries table of all samples in input table", -) @click.option( "--curl", is_flag=True, diff --git a/AMDirT/convert/__init__.py b/AMDirT/convert/__init__.py index 572457d..825266a 100644 --- a/AMDirT/convert/__init__.py +++ b/AMDirT/convert/__init__.py @@ -22,6 +22,7 @@ def run_convert( samples, + libraries, table_name, tables=None, output=".", @@ -40,9 +41,10 @@ def run_convert( """Run the AMDirT conversion application to input samplesheet tables for different pipelines Args: - tables (str): Path to JSON file listing tables samples (str): Path to AncientMetagenomeDir filtered samples tsv file + libraries(str): Optional path to AncientMetagenomeDir filtered libraries tsv file table_name (str): Name of the table of the table to convert + tables (str): Path to JSON file listing tables output (str): Path to output table. Defaults to "." """ os.makedirs(output, exist_ok=True) @@ -79,14 +81,33 @@ def run_convert( else: logger.info("Input sample dataset is valid") samples = pd.read_csv(samples, sep="\t") - libraries = pd.read_csv(remote_resources["libraries"][table_name], sep="\t") + remote_libraries = pd.read_csv( + remote_resources["libraries"][table_name], sep="\t" + ) - selected_libraries = get_libraries( - samples=samples, - libraries=libraries, - table_name=table_name, - supported_archives=supported_archives, - ) + if not libraries: + selected_libraries = get_libraries( + samples=samples, + libraries=remote_libraries, + table_name=table_name, + supported_archives=supported_archives, + ) + else: + dataset_valid = list() + v = AMDirValidator(schema, libraries) + dataset_valid.append(v.parsing_ok) + if v.parsing_ok: + dataset_valid.append(v.validate_schema()) + dataset_valid.append(v.check_duplicate_rows()) + dataset_valid.append(v.check_columns()) + + dataset_valid = all(dataset_valid) + if dataset_valid is False: + v.to_rich() + raise DatasetValidationError("Input libraries dataset is not valid") + else: + logger.info("Input libraries dataset is valid") + selected_libraries = pd.read_csv(libraries, sep="\t") accession_table = prepare_accession_table( samples=samples, From 336ff99ba42715254e00ec86943cc0e7e67e0855 Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 12 Feb 2024 16:14:00 +0100 Subject: [PATCH 41/69] test: add input library convert --- AMDirT/convert/__init__.py | 9 ++++++++- ...etagenomeDir_nf_core_eager_input_table.tsv | 6 ++++++ tests/test_convert.py | 19 ++++++++++++++++++- 3 files changed, 32 insertions(+), 2 deletions(-) create mode 100644 AncientMetagenomeDir_nf_core_eager_input_table.tsv diff --git a/AMDirT/convert/__init__.py b/AMDirT/convert/__init__.py index 825266a..72135a6 100644 --- a/AMDirT/convert/__init__.py +++ b/AMDirT/convert/__init__.py @@ -93,6 +93,7 @@ def run_convert( supported_archives=supported_archives, ) else: + schema = remote_resources[f"libraries_schema"][table_name] dataset_valid = list() v = AMDirValidator(schema, libraries) dataset_valid.append(v.parsing_ok) @@ -107,7 +108,13 @@ def run_convert( raise DatasetValidationError("Input libraries dataset is not valid") else: logger.info("Input libraries dataset is valid") - selected_libraries = pd.read_csv(libraries, sep="\t") + libraries = pd.read_csv(libraries, sep="\t") + selected_libraries = get_libraries( + samples=samples, + libraries=libraries, + table_name=table_name, + supported_archives=supported_archives, + ) accession_table = prepare_accession_table( samples=samples, diff --git a/AncientMetagenomeDir_nf_core_eager_input_table.tsv b/AncientMetagenomeDir_nf_core_eager_input_table.tsv new file mode 100644 index 0000000..e65f00b --- /dev/null +++ b/AncientMetagenomeDir_nf_core_eager_input_table.tsv @@ -0,0 +1,6 @@ +Sample_Name Library_ID Lane Colour_Chemistry SeqType Organism Strandedness UDG_Treatment R1 R2 BAM +B61 SRR957738 0 4 SE Homo sapiens double none SRR957738.fastq.gz NA NA +B61 SRR957739 0 4 SE Homo sapiens double none SRR957739.fastq.gz NA NA +B61 SRR957740 0 4 SE Homo sapiens double none SRR957740.fastq.gz NA NA +B61 SRR957741 0 4 SE Homo sapiens double none SRR957741.fastq.gz NA NA +ElSidron1 SRR13263123 0 4 PE Homo sapiens neanderthalensis double none SRR13263123_1.fastq.gz SRR13263123_2.fastq.gz NA diff --git a/tests/test_convert.py b/tests/test_convert.py index 4f81326..8fa93f7 100644 --- a/tests/test_convert.py +++ b/tests/test_convert.py @@ -6,10 +6,27 @@ from AMDirT.convert import run_convert -def test_convert(test_data_dir): +def test_convert_only_sample_df(test_data_dir): assert ( run_convert( samples=os.path.join(test_data_dir, "samples_test_convert.tsv"), + libraries=None, + table_name="ancientmetagenome-hostassociated", + eager=True, + fetchngs=True, + ameta=True, + output="test_files", + ) + is None + ) + shutil.rmtree("test_files") + + +def test_convert_only_libraries_df(test_data_dir): + assert ( + run_convert( + samples=os.path.join(test_data_dir, "samples_test_convert.tsv"), + libraries=os.path.join(test_data_dir, "libraries_test_convert.tsv"), table_name="ancientmetagenome-hostassociated", eager=True, fetchngs=True, From f81cf668af242a55ba06b19bf918b367593a7caa Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 12 Feb 2024 16:27:51 +0100 Subject: [PATCH 42/69] doc: add convert input library --- docs/source/how_to/convert.md | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/docs/source/how_to/convert.md b/docs/source/how_to/convert.md index 40792a1..c0146b2 100644 --- a/docs/source/how_to/convert.md +++ b/docs/source/how_to/convert.md @@ -25,6 +25,16 @@ AMDirT convert ancientmetagenome-hostassociated_samples_warinnersamplesonly.tsv where you provide the filtered TSV, which AncientMetagenomeDir samples table the filtered table is derived from,then the output directory where the samplesheets should be saved into, and which tool to generate a samplesheet from. +Alternatively, if you only want specific libraries, and already have pre-filtered the associated AncientMetagenomeDir libraries table, you can also provide it. Here for example: + +- the filtered sample table is : `ancientmetagenome-hostassociated_samples_warinnersamplesonly.tsv` +- the matching filtered libraries table is: `ancientmetagenome-hostassociated_libraries_warinnerlibrariesonly.tsv` + +```bash +mkdir -p samplesheets/ +AMDirT convert --libraries ancientmetagenome-hostassociated_libraries_warinnerlibrariesonly.tsv ancientmetagenome-hostassociated_samples_warinnersamplesonly.tsv ancientmetagenome-hostassociated -o samplesheets/ -- +``` + See [Output](#output) for descriptions of all output files. > ⚠️ _When using a **pipeline input samplesheet**, you should always double check the sheet is correctly configured. We cannot guarantee accuracy between metadata and sequencing files._ From 136de7cca89a1b123cc325c38f8153d07a834013 Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 12 Feb 2024 16:37:12 +0100 Subject: [PATCH 43/69] doc: add library filtering --- .../images/amdirt-filter-download-buttons.png | Bin 0 -> 185655 bytes .../images/amdirt-filter-libraries-table.png | Bin 0 -> 130025 bytes docs/source/how_to/viewer.md | 13 ++++++++++--- 3 files changed, 10 insertions(+), 3 deletions(-) create mode 100644 docs/source/how_to/images/amdirt-filter-download-buttons.png create mode 100644 docs/source/how_to/images/amdirt-filter-libraries-table.png diff --git a/docs/source/how_to/images/amdirt-filter-download-buttons.png b/docs/source/how_to/images/amdirt-filter-download-buttons.png new file mode 100644 index 0000000000000000000000000000000000000000..afb2768a03d35cd2bbb6fba29c1ffa2bf8e11f4d GIT binary patch literal 185655 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graphical-user i > ⚠️ _The `viewer` tool was previously named `filter`, and might still be referred as such in some parts of the documentation._ For video based walkthroughs please see [Tutorials](/tutorials/viewer.md). + ## When You should use this tool when you wish to find particular types of ancient metagenomic data, but wish to explore the dataset manually and interactively (i.e., don't know exactly what you're looking for yet), and/or if you do not wish to download the AncientMetagenomeDir full tables yourself and filter them within languages such as R or Python (with pandas). @@ -87,7 +88,15 @@ Now validate your selection! Press the 'Validate selection' button at the bottom > ⚠️ _If you wish to download the data, make sure you have already selected your 'Data download method' in the sidebar before pressing 'Validate selection'!_ -Once the select is validated, more buttons will appear allowing you to download different files +Once the select is validated, the library filtering table will appear below + +![AMDirT libraries filtering table](images/amdirt-filter-libraries-table.png) + +You can proceed to select your libraries of choice (or all of them), and then click on 'Validate library selection' + +Your different download options will finally appear: + +![AMDirT output download options](images/amdirt-filter-download-buttons.png) In this case we suggest you press: @@ -97,8 +106,6 @@ In this case we suggest you press: See [Output](#output) for descriptions of all output possible files. -![AMDirT buttons after selection validation](images/amdirt-filter-validate-buttons.png) - To use the **download** script, you can simply run: ```bash From 3f24394143c8918e4928b7b2bf082c61c1eb09d1 Mon Sep 17 00:00:00 2001 From: maxibor Date: Tue, 13 Feb 2024 14:09:58 +0100 Subject: [PATCH 44/69] doc: update youtube link --- docs/source/tutorials/viewer.md | 48 ++------------------------------- 1 file changed, 2 insertions(+), 46 deletions(-) diff --git a/docs/source/tutorials/viewer.md b/docs/source/tutorials/viewer.md index 7f0b163..97b1e17 100644 --- a/docs/source/tutorials/viewer.md +++ b/docs/source/tutorials/viewer.md @@ -2,51 +2,7 @@ On this page we provide step-by-step video tutorials on how to use the AMDirT graphical-user-interface (GUI) of the `viewer` command. -> ℹ️ _The `viewer` subcommand was previously known as `filter`._ - -The [full walkthrough](#full-walkthrough) of all steps in a single video can be seen at the end of this page. - -## Loading AMDirT viewer - -This tutorial shows how to activate a [pre-created](README#install) conda environment from a command-line interface, and load the graphical-user interface (GUI) in your browser. - - - -## Selecting Table - -This tutorial shows you how to select which release of AncientMetagenomeDir you wish to explore, as well as how to select the given research-area specific AncientMetagenomeDir table of interest. - - - -## Row Selection - -This tutorial shows how to increase the number of rows in the tabular view of the GUI. - - - -## Column Options - -This tutorial shows you how to reorder columns, hide/display columns, and filter columns by the particular specifications of the user. - - - -## Selecting Rows - -This tutorial shows how to select different rows of interest. - - - -## Exporting Information - -This tutorial shows how to export the selected data for downstream use, in this case, download scripts and a input table for the [nf-core/eager](https://nf-co.re/eager) ancient DNA pipeline. - For more detail about all possible output files, please see the corresponding pages on [How To](/how_to/index). - - -## Full walkthrough - -This tutorial has all the above steps in a single video to show the full procedure from beginning to end. - - + \ No newline at end of file From 25c5e86949559fefb1ae9f7fdb0b7ae7f6df4fd4 Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Tue, 13 Feb 2024 14:10:49 +0100 Subject: [PATCH 45/69] Update AMDirT/cli.py Co-authored-by: James A. Fellows Yates --- AMDirT/cli.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/cli.py b/AMDirT/cli.py index 9626cc9..253b9ca 100644 --- a/AMDirT/cli.py +++ b/AMDirT/cli.py @@ -138,7 +138,7 @@ def viewer(ctx, no_args_is_help=True, **kwargs): @click.option( "--libraries", type=click.Path(readable=True, file_okay=True, dir_okay=False, exists=True), - help=("(Optional) Path to libraries table"), + help=("(Optional) Path to a pre-filtered libraries table"), cls=MutuallyExclusiveOption, mutually_exclusive=["librarymetadata"], ) From df676578d544f951804d3481860d2a85c911193a Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Tue, 13 Feb 2024 14:10:55 +0100 Subject: [PATCH 46/69] Update AMDirT/convert/__init__.py Co-authored-by: James A. Fellows Yates --- AMDirT/convert/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/convert/__init__.py b/AMDirT/convert/__init__.py index 72135a6..bab68df 100644 --- a/AMDirT/convert/__init__.py +++ b/AMDirT/convert/__init__.py @@ -42,7 +42,7 @@ def run_convert( Args: samples (str): Path to AncientMetagenomeDir filtered samples tsv file - libraries(str): Optional path to AncientMetagenomeDir filtered libraries tsv file + libraries(str): Optional path to AncientMetagenomeDir pre-filtered libraries tsv file table_name (str): Name of the table of the table to convert tables (str): Path to JSON file listing tables output (str): Path to output table. Defaults to "." From 0827b97e728600faaab4f1dec54718e8af4ef047 Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 14 Feb 2024 16:59:23 +0100 Subject: [PATCH 47/69] doc: convert cli help update --- AMDirT/cli.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/AMDirT/cli.py b/AMDirT/cli.py index 253b9ca..c642a07 100644 --- a/AMDirT/cli.py +++ b/AMDirT/cli.py @@ -206,6 +206,9 @@ def viewer(ctx, no_args_is_help=True, **kwargs): def convert(ctx, no_args_is_help=True, **kwargs): """\b Converts filtered samples and libraries tables to eager, ameta, taxprofiler, and fetchNGS input tables + + Note: When supplying a pre-filtered libraries table with `--libraries`, the corresponding sample table is still required! + \b SAMPLES: path to filtered AncientMetagenomeDir samples tsv file TABLE_NAME: name of table to convert From 983a34e211a26249065f35456474663cba9f8089 Mon Sep 17 00:00:00 2001 From: maxibor Date: Wed, 14 Feb 2024 17:03:08 +0100 Subject: [PATCH 48/69] remove test file --- AncientMetagenomeDir_nf_core_eager_input_table.tsv | 6 ------ 1 file changed, 6 deletions(-) delete mode 100644 AncientMetagenomeDir_nf_core_eager_input_table.tsv diff --git a/AncientMetagenomeDir_nf_core_eager_input_table.tsv b/AncientMetagenomeDir_nf_core_eager_input_table.tsv deleted file mode 100644 index e65f00b..0000000 --- a/AncientMetagenomeDir_nf_core_eager_input_table.tsv +++ /dev/null @@ -1,6 +0,0 @@ -Sample_Name Library_ID Lane Colour_Chemistry SeqType Organism Strandedness UDG_Treatment R1 R2 BAM -B61 SRR957738 0 4 SE Homo sapiens double none SRR957738.fastq.gz NA NA -B61 SRR957739 0 4 SE Homo sapiens double none SRR957739.fastq.gz NA NA -B61 SRR957740 0 4 SE Homo sapiens double none SRR957740.fastq.gz NA NA -B61 SRR957741 0 4 SE Homo sapiens double none SRR957741.fastq.gz NA NA -ElSidron1 SRR13263123 0 4 PE Homo sapiens neanderthalensis double none SRR13263123_1.fastq.gz SRR13263123_2.fastq.gz NA From 277bbb27aa65bb952c9a289bdf21427bd45727c6 Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Thu, 15 Feb 2024 13:34:28 +0100 Subject: [PATCH 49/69] Update docs/source/how_to/viewer.md Co-authored-by: James A. Fellows Yates --- docs/source/how_to/viewer.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/how_to/viewer.md b/docs/source/how_to/viewer.md index 5a60e9e..ecfdce0 100644 --- a/docs/source/how_to/viewer.md +++ b/docs/source/how_to/viewer.md @@ -88,7 +88,7 @@ Now validate your selection! Press the 'Validate selection' button at the bottom > ⚠️ _If you wish to download the data, make sure you have already selected your 'Data download method' in the sidebar before pressing 'Validate selection'!_ -Once the select is validated, the library filtering table will appear below +Once the selection is validated, the library filtering table will appear below ![AMDirT libraries filtering table](images/amdirt-filter-libraries-table.png) From cd116d9e495570e743c217e8dd4d5bc5c73fc3df Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Thu, 15 Feb 2024 13:34:38 +0100 Subject: [PATCH 50/69] Update docs/source/how_to/viewer.md Co-authored-by: James A. Fellows Yates --- docs/source/how_to/viewer.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/how_to/viewer.md b/docs/source/how_to/viewer.md index ecfdce0..35a119a 100644 --- a/docs/source/how_to/viewer.md +++ b/docs/source/how_to/viewer.md @@ -92,7 +92,7 @@ Once the selection is validated, the library filtering table will appear below ![AMDirT libraries filtering table](images/amdirt-filter-libraries-table.png) -You can proceed to select your libraries of choice (or all of them), and then click on 'Validate library selection' +You can proceed to select your libraries of choice (or all of them) in the same way as the samples table. Once happy, you can then click on 'Validate library selection' Your different download options will finally appear: From 7ab8a818653f8a840de61beabcc9164fd481dbd2 Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Thu, 15 Feb 2024 13:34:45 +0100 Subject: [PATCH 51/69] Update docs/source/tutorials/viewer.md Co-authored-by: James A. Fellows Yates --- docs/source/tutorials/viewer.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/tutorials/viewer.md b/docs/source/tutorials/viewer.md index 97b1e17..06c05a1 100644 --- a/docs/source/tutorials/viewer.md +++ b/docs/source/tutorials/viewer.md @@ -1,6 +1,6 @@ # viewer -On this page we provide step-by-step video tutorials on how to use the AMDirT graphical-user-interface (GUI) of the `viewer` command. +On this page we provide a step-by-step video tutorial on how to use the AMDirT graphical-user-interface (GUI) of the `viewer` command. For more detail about all possible output files, please see the corresponding pages on [How To](/how_to/index). From 81edcf3ce2a54e146af4ac6641f0c6f0f7f290ea Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 28 Mar 2024 13:31:30 +0000 Subject: [PATCH 52/69] Start skeleton of convert tutorial and try fixing logo rendering on readme/install page for RTD --- README.md | 19 ++- assets/logo_rectangular_transparent.png | Bin 0 -> 69286 bytes assets/logo_rectangular_transparent.svg | 153 ++++++++++++++++++++++++ docs/source/index.rst | 4 +- docs/source/tutorials/convert.md | 1 + docs/source/tutorials/index.rst | 3 +- 6 files changed, 166 insertions(+), 14 deletions(-) create mode 100644 assets/logo_rectangular_transparent.png create mode 100644 assets/logo_rectangular_transparent.svg create mode 100644 docs/source/tutorials/convert.md diff --git a/README.md b/README.md index 1b7cbff..cd3d841 100644 --- a/README.md +++ b/README.md @@ -1,20 +1,15 @@ [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4003825.svg)](https://doi.org/10.5281/zenodo.4003825) [![PyPI version](https://badge.fury.io/py/AMDirT.svg)](https://pypi.org/project/AMDirT) [![Documentation Status](https://readthedocs.org/projects/amdirt/badge/?version=dev)](https://amdirt.readthedocs.io/en/dev/?badge=dev) [![AMDirT-CI](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml/badge.svg)](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml) -

- -![AMDirT](https://raw.githubusercontent.com/SPAAM-community/AMDirT/master/assets/logo_rectangular.png#gh-light-mode-only) - -
- -
- -![AMDirT](https://raw.githubusercontent.com/SPAAM-community/AMDirT/master/assets/logo_rectangular_dark.png#gh-dark-mode-only) - -
+ + + AMDirT Logo + **AMDirT**: [**A**ncient**M**etagenome**Dir**](https://github.com/SPAAM-community/ancientmetagenomedir) **T**oolkit -AMDirT is a toolkit for interacting with the AncientMetagenomeDir metadata repository of ancient metagenomic samples and ancient microbial genomes. This tool provides ways to validate AncientMetagenomeDir submissions, explore and download sequencing data for ancient microbial and environmental (meta)genomes, and automatically prepare input samplesheets for a range of bioinformatic processing pipelines. +AMDirT is a toolkit for interacting with the AncientMetagenomeDir metadata repository of ancient metagenomic samples and ancient microbial genomes. + +This tool provides ways to explore and download sequencing data for ancient microbial and environmental (meta)genomes, automatically prepare input samplesheets for a range of bioinformatic processing pipelines, and to validate AncientMetagenomeDir submissions. For documentation on using the tool, please see [How Tos](https://amdirt.readthedocs.io/en/latest/how_to/index.html), [Tutorials](https://amdirt.readthedocs.io/en/latest/tutorials/index.html) and/or [Quick Reference](https://amdirt.readthedocs.io/en/latest/reference.html). diff --git a/assets/logo_rectangular_transparent.png b/assets/logo_rectangular_transparent.png new file mode 100644 index 0000000000000000000000000000000000000000..ea4d442c8e26386c0163b5e942a5e0b609879ff5 GIT binary patch literal 69286 zcmeFZc|4Tu+Xp<0B^8r96218ul!2zzkWcc`k-?##d?1Nx1MX~Ll@G$zxE8yb6V12t_D}Q`&sOx19 zSZHXdBEio)$lW!-L(%`T=e@b(f-u-&7#4HdIxK5uB(zT4gL-3eLt;XW;sIwDkKL*G zaz}wQM@8!`E_iYQ`p?|QPYUGSU~FfJaQNvx))29HC%FPGi+%~)WpwAu9jT@b!{y>u z*XPGZY<`4eE=l;JmYrxkDfUl#=b?-2jW zul8!7nX*ig}4l_Jk{O3?T1w7PHIq$aBe?Zrn;SM4ig9^?cp*Qk9JZjy3cyuA59H`KC-LIP z)9A5Azbw7aA1t>lkFJ56Av6@T>Fj&8kXrJp^9sTSziy&MZ?ENzDnGn{Wi_ALm-t3w z74F}~h&SQv}nQFPuIJB$K0@Om+{Rzzy7|^ESXAIH4?;SKWFqqo9c=>$h!KV 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ztm{0WvJGm`OKhzvxy1Eh|gd}*@!>H-t|_fY6e z8&t0r9RH+b?g3DJKkjlTkK|67W4A9us1Wd}qMX{ZC3DhrfF&tVg-rS^Ubj^&lDh|5 zVU>VTTQ)W{qt!7)d~(k0yE1_BDkpIxsSl?Fk=J!rhxo;7%~38YtF?P8 zlxHhA6o4(6Q$yw{(~dKzoW>D<%U6*p%L&=pR?;P5nM~u++ePM z*wS6&3Y7uVy6!=qda7Q1^Tb$-w!c2tC@fTX5R zr6aGWP4y2&aDPl@KSxSKYNt-=BDEh)O(2$Lsl7d_dpZ(UcA{XBRnDI{aq2|9N!S<$o*Q9i$&U^h+fn_09BN{^@%2{{T1%y#4?H literal 0 HcmV?d00001 diff --git a/assets/logo_rectangular_transparent.svg b/assets/logo_rectangular_transparent.svg new file mode 100644 index 0000000..16f60ef --- /dev/null +++ b/assets/logo_rectangular_transparent.svg @@ -0,0 +1,153 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + AMDirT + + + + + + diff --git a/docs/source/index.rst b/docs/source/index.rst index 4fca812..5341de5 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -11,7 +11,9 @@ Welcome to AMDirT's documentation! 🛠️ **AMDirT**: `AncientMetagenomeDir `_ Toolkit 🛠️ -AMDirT is a toolkit for interacting with the AncientMetagenomeDir metadata repository of ancient metagenomic samples and ancient microbial genomes. This tool provides ways to validate AncientMetagenomeDir submissions, explore and download sequencing data for ancient microbial and environmental (meta)genomes, and automatically prepare input samplesheets for a range of bioinformatic processing pipelines. +AMDirT is a toolkit for interacting with the AncientMetagenomeDir metadata repository of ancient metagenomic samples and ancient microbial genomes. + +This tool provides ways to explore and download sequencing data for ancient microbial and environmental (meta)genomes, automatically prepare input samplesheets for a range of bioinformatic processing pipelines, and to validate AncientMetagenomeDir submissions. For more information on installation see: :doc:`README`. For how to use the toolkit (tutorials, how-toes, references) please see the table of contents. diff --git a/docs/source/tutorials/convert.md b/docs/source/tutorials/convert.md new file mode 100644 index 0000000..81dea33 --- /dev/null +++ b/docs/source/tutorials/convert.md @@ -0,0 +1 @@ +# convert diff --git a/docs/source/tutorials/index.rst b/docs/source/tutorials/index.rst index 3037871..5ef29f1 100644 --- a/docs/source/tutorials/index.rst +++ b/docs/source/tutorials/index.rst @@ -11,4 +11,5 @@ All tutorials assume you have already installed AMDirT following the installatio :maxdepth: 1 :caption: Tutorials: - viewer \ No newline at end of file + viewer + convert \ No newline at end of file From 018a1c3b190b789ffcad33464713b49d903f1d6c Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 28 Mar 2024 13:33:16 +0000 Subject: [PATCH 53/69] Use generally transparent dark mode --- README.md | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/README.md b/README.md index cd3d841..f28495e 100644 --- a/README.md +++ b/README.md @@ -1,8 +1,7 @@ [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.4003825.svg)](https://doi.org/10.5281/zenodo.4003825) [![PyPI version](https://badge.fury.io/py/AMDirT.svg)](https://pypi.org/project/AMDirT) [![Documentation Status](https://readthedocs.org/projects/amdirt/badge/?version=dev)](https://amdirt.readthedocs.io/en/dev/?badge=dev) [![AMDirT-CI](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml/badge.svg)](https://github.com/SPAAM-community/AMDirT/actions/workflows/ci_test.yml) - - AMDirT Logo + AMDirT Logo **AMDirT**: [**A**ncient**M**etagenome**Dir**](https://github.com/SPAAM-community/ancientmetagenomedir) **T**oolkit From d535f0f87434423c0d00abe9d2be2aacedab6642 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 28 Mar 2024 13:44:58 +0000 Subject: [PATCH 54/69] Add autofill caveat of not running manually usually in howto --- docs/source/how_to/autofill.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/docs/source/how_to/autofill.md b/docs/source/how_to/autofill.md index e1002a4..d2edecf 100644 --- a/docs/source/how_to/autofill.md +++ b/docs/source/how_to/autofill.md @@ -8,6 +8,8 @@ The purpose of the `autofill` command is to help AncientMetagenomeDir contributo You should use these commands when you want to contribute to AncientMetagenomeDir, by adding a newly published dataset, if it's already available on a sequencing archive (ENA/SRA). +It is normally executed for you by a 'bot' on GitHub when you have opened a pull-request with a samplesheet, by leaving a comment of `@spaam-bot autofill `. Thus, you should also only run this command if you want to do your AncientMetagenomeDir _entirely_ locally. + ## How ### `autofill` From 77c2919096697999efe66b6a0fa74c814d2a8eaf Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 28 Mar 2024 14:09:39 +0000 Subject: [PATCH 55/69] Add merge HOW TO --- docs/source/how_to/convert.md | 44 +++++++++++++++++------------------ docs/source/how_to/merge.md | 33 ++++++++++++++++++++++++++ 2 files changed, 55 insertions(+), 22 deletions(-) create mode 100644 docs/source/how_to/merge.md diff --git a/docs/source/how_to/convert.md b/docs/source/how_to/convert.md index c0146b2..10732f4 100644 --- a/docs/source/how_to/convert.md +++ b/docs/source/how_to/convert.md @@ -37,7 +37,7 @@ AMDirT convert --libraries ancientmetagenome-hostassociated_libraries_warinnerli See [Output](#output) for descriptions of all output files. -> ⚠️ _When using a **pipeline input samplesheet**, you should always double check the sheet is correctly configured. We cannot guarantee accuracy between metadata and sequencing files._ +> ⚠️ _When using a **pipeline input samplesheet**, you should always double check the sheet is correctly configured. We cannot guarantee accuracy between metadata and sequencing files._ Once you have validated it, you can directly supply it to the appropriate pipeline as follows (using nf-core/eager as an example): @@ -51,33 +51,33 @@ The **citations BibTex** file contains all the citation information of your sele ## Output -> ⚠️ _We highly recommend generating and reviewing `AncientMetagenomeDir_filtered_libraries.tsv` **before** downloading or running any pipelines to ensure you have in the download scripts and/or pipeline input sheets only the actual library types you wish to use (e.g. you may only want paired-end data, or non-UDG treated data)._ +> ⚠️ _We highly recommend generating and reviewing `AncientMetagenomeDir_filtered_libraries.tsv` **before** downloading or running any pipelines to ensure you have in the download scripts and/or pipeline input sheets only the actual library types you wish to use (e.g. you may only want paired-end data, or non-UDG treated data)._ -> ⚠️ _To use a **pipeline input samplesheet**, you should always double check the sheet is correctly configured. We cannot guarantee accuracy between metadata and sequencing files._ +> ⚠️ _To use a **pipeline input samplesheet**, you should always double check the sheet is correctly configured. We cannot guarantee accuracy between metadata and sequencing files._ All possible output is as follows: - ``: where all the pipeline samplesheets are placed (by default `.`) -- `AncientMetagenomeDir_bibliography.bib`: - - A BibTex format citation information file with all references (where available) present in the filtered sample table. -- `AncientMetagenomeDir_filtered_libraries.tsv`: - - The associated AncientMetagenomeDir curated metadata for all _libraries_ of the samples in the input table. +- `AncientMetagenomeDir_bibliography.bib`: + - A BibTex format citation information file with all references (where available) present in the filtered sample table. +- `AncientMetagenomeDir_filtered_libraries.tsv`: + - The associated AncientMetagenomeDir curated metadata for all _libraries_ of the samples in the input table. - `AncientMetagenomeDir_curl_download_script.sh`: - - A bash script containing curl commands for all libraries in the input samples list. + - A bash script containing curl commands for all libraries in the input samples list. - `AncientMetagenomeDir_aspera_download_script.sh`: - - A bash script containing Aspera commands for all libraries in the input samples list. See [How Tos](/how_to/miscellaneous) for Aspera configuration information. -- `AncientMetagenomeDir_nf_core_fetchngs_input_table.tsv`: - - An input sheet containing ERS/SRS accession numbers in a format compatible with the [nf-core/fetchngs](https://nf-co.re/fetchngs) input samplesheet. + - A bash script containing Aspera commands for all libraries in the input samples list. See [How Tos](/how_to/miscellaneous) for Aspera configuration information. +- `AncientMetagenomeDir_nf_core_fetchngs_input_table.tsv`: + - An input sheet containing ERS/SRS accession numbers in a format compatible with the [nf-core/fetchngs](https://nf-co.re/fetchngs) input samplesheet. - `AncientMetagenomeDir_nf_core_eager_input_table.tsv`: - - An input sheet with metadata in a format compatible with the [nf-core/eager](https://nf-co.re/eager) input samplesheet. - - Contained paths are relative to the directory output when using the `curl` and `aspera` download scripts (i.e., input sheet assumes files are in the same directory as the input sheet itself). -- `AncientMetagenomeDir_nf_core_taxprofiler_input_table.csv`: - - An input sheet with metadata in a format compatible with the [nf-core/taxprofiler](https://nf-co.re/eager) input samplesheet. - - Contained paths are relative to the directory output when using the `curl` and `aspera` download scripts (i.e., input sheet assumes files are in the same directory as the input sheet itself). + - An input sheet with metadata in a format compatible with the [nf-core/eager](https://nf-co.re/eager) input samplesheet. + - Contained paths are relative to the directory output when using the `curl` and `aspera` download scripts (i.e., input sheet assumes files are in the same directory as the input sheet itself). +- `AncientMetagenomeDir_nf_core_taxprofiler_input_table.csv`: + - An input sheet with metadata in a format compatible with the [nf-core/taxprofiler](https://nf-co.re/eager) input samplesheet. + - Contained paths are relative to the directory output when using the `curl` and `aspera` download scripts (i.e., input sheet assumes files are in the same directory as the input sheet itself). - `AncientMetagenomeDir_aMeta_input_table.tsv`: - - An input sheet with metadata in a format compatible with the [aMeta](https://github.com/NBISweden/aMeta) input samplesheet. - - Contained paths are relative to the directory output when using the `curl` and `aspera` download scripts (i.e., input sheet assumes files are in the same directory as the input sheet itself). -- `AncientMetagenomeDir_nf_core_mag_input_{single,paired}_table.csv`: - - An input sheet with metadata in a format compatible with the [nf-core/mag](https://nf-co.re/eager) input samplesheet. - - Contained paths are relative to the directory output when using the `curl` and `aspera` download scripts (i.e., input sheet assumes files are in the same directory as the input sheet itself). - - nf-core/mag does not support paired- and single-end data in the same run, therefore two sheets will be generated if your selected samples contain both types of libraries. + - An input sheet with metadata in a format compatible with the [aMeta](https://github.com/NBISweden/aMeta) input samplesheet. + - Contained paths are relative to the directory output when using the `curl` and `aspera` download scripts (i.e., input sheet assumes files are in the same directory as the input sheet itself). +- `AncientMetagenomeDir_nf_core_mag_input_{single,paired}_table.csv`: + - An input sheet with metadata in a format compatible with the [nf-core/mag](https://nf-co.re/eager) input samplesheet. + - Contained paths are relative to the directory output when using the `curl` and `aspera` download scripts (i.e., input sheet assumes files are in the same directory as the input sheet itself). + - nf-core/mag does not support paired- and single-end data in the same run, therefore two sheets will be generated if your selected samples contain both types of libraries. diff --git a/docs/source/how_to/merge.md b/docs/source/how_to/merge.md new file mode 100644 index 0000000..f2d0fbe --- /dev/null +++ b/docs/source/how_to/merge.md @@ -0,0 +1,33 @@ +# merge + +## What + +Merges a user-supplied metadata table with the latest AncientMetagenomeDir master metadata tables, with on-the-fly [validation](validation.md). + +## When + +This command would be used when you have a local version of an AncientMetagenomeDir table (samples or libraries) of just the new samples or libraries to add, and want to append to the current master table before submitting a pull request. + +You typically only do this if preparing a pull request to the AncientMetagenomeDir repository entirely locally. + +## How + +The following description assumes you have already prepared a AncientMetagenomeDir **samples** or **libraries** table whose rows only consist of the header and new samples to be added. + +> ⚠️ _The header, and present columns etc. should match exactly that on the corresponding AncientMetagenomeDir table_ + +Given a new samples table `samples_for_new_pr.tsv` to be added to the single genome samples table `ancientsinglegenome-hostassociated`, you can run the following command: + +```bash +AMDirT merge -n ancientsinglegenome-hostassociated -t samples samples_for_new_pr.tsv +``` + +Note that during merge `merge` will also perform schema validation to ensure the contents of the new rows are valid against the AncientMetagenomeDir schema. + +## Output + +The output of the `merge` command is a new table with the merged rows named after the table you merged the new rows onto, placed by default in the directory you ran the command from (customisable with `-o`). + +In the example above, the file result would be: `ancientsinglegenome-hostassociated_samples.tsv`. + +The contents of this file can then theoretically be used to submit a pull request to the AncientMetagenomeDir repository. From 907778e6a93bb824f78f98d8aafbb0ec4c450e4d Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 28 Mar 2024 14:14:55 +0000 Subject: [PATCH 56/69] Typo fixes --- docs/source/how_to/autofill.md | 2 +- docs/source/how_to/convert.md | 2 +- docs/source/how_to/index.rst | 1 + docs/source/how_to/merge.md | 4 +- docs/source/how_to/validate.md | 2 +- docs/source/tutorials/index.rst | 4 +- tests/data/libraries_schema.json | 119 +++++++------------------------ 7 files changed, 35 insertions(+), 99 deletions(-) diff --git a/docs/source/how_to/autofill.md b/docs/source/how_to/autofill.md index d2edecf..3effc20 100644 --- a/docs/source/how_to/autofill.md +++ b/docs/source/how_to/autofill.md @@ -52,7 +52,7 @@ project_name publication_year data_publication_doi sample_name archive archive_p You will notice that some columns are missing information, especially in the sample metadata table (in this example, `samples.tsv`). Despite our best efforts, not all information is made available through ENA, and it will be up to you to fill these missing columns, from the original publication, its supplementary material, or elsewhere. You can do it in your favorite text editor, or table editor (like LibreOffice Calc, or Excel). -Please refer to the AncientMetagenomeDir wiki for information on this process: [https://github.com/SPAAM-community/AncientMetagenomeDir/wiki](github.com/SPAAM-community/AncientMetagenomeDir/wiki). +Please refer to the AncientMetagenomeDir wiki for information on this process: [https://github.com/SPAAM-community/AncientMetagenomeDir/wiki](https://github.com/SPAAM-community/AncientMetagenomeDir/wiki). > ⚠️ The sample and library names reported on sequencing archives (ENA, SRA, ...) might not be the same as the one list in the original article. Please double check before proceeding further. diff --git a/docs/source/how_to/convert.md b/docs/source/how_to/convert.md index 10732f4..e28c1f9 100644 --- a/docs/source/how_to/convert.md +++ b/docs/source/how_to/convert.md @@ -12,7 +12,7 @@ You typically will use `convert` if you are a command-line power user, and have ## How -The following description assumes that you have already have a AncientMetagenomeDir **samples** table that has been filtered to the samples you wish to run through a given pipeline(s). +The following description assumes that you have already have an AncientMetagenomeDir **samples** table that has been filtered to the samples you wish to run through a given pipeline(s). > ⚠️ _The header, and present columns etc. should match exactly that on AncientMetagenomeDir, only rows may be removed._ diff --git a/docs/source/how_to/index.rst b/docs/source/how_to/index.rst index ac3eb4d..a6b8970 100644 --- a/docs/source/how_to/index.rst +++ b/docs/source/how_to/index.rst @@ -13,4 +13,5 @@ All 'How Tos' assume you have already installed AMDirT following the installatio convert validate autofill + merge miscellaneous \ No newline at end of file diff --git a/docs/source/how_to/merge.md b/docs/source/how_to/merge.md index f2d0fbe..8ce4fec 100644 --- a/docs/source/how_to/merge.md +++ b/docs/source/how_to/merge.md @@ -2,7 +2,7 @@ ## What -Merges a user-supplied metadata table with the latest AncientMetagenomeDir master metadata tables, with on-the-fly [validation](validation.md). +Merges a user-supplied metadata table with the latest AncientMetagenomeDir master metadata tables, with on-the-fly [validation](/how_to/validate). ## When @@ -12,7 +12,7 @@ You typically only do this if preparing a pull request to the AncientMetagenomeD ## How -The following description assumes you have already prepared a AncientMetagenomeDir **samples** or **libraries** table whose rows only consist of the header and new samples to be added. +The following description assumes you have already prepared an AncientMetagenomeDir **samples** or **libraries** table whose rows only consist of the header and new samples to be added. > ⚠️ _The header, and present columns etc. should match exactly that on the corresponding AncientMetagenomeDir table_ diff --git a/docs/source/how_to/validate.md b/docs/source/how_to/validate.md index 1de7590..071621f 100644 --- a/docs/source/how_to/validate.md +++ b/docs/source/how_to/validate.md @@ -2,7 +2,7 @@ ## What -The purpose of the `validate` command is to check that a AncientMetagenomeDir metadata file confirms the specifications of the project. +The purpose of the `validate` command is to check that an AncientMetagenomeDir metadata file confirms the specifications of the project. ## When diff --git a/docs/source/tutorials/index.rst b/docs/source/tutorials/index.rst index 5ef29f1..8dc5326 100644 --- a/docs/source/tutorials/index.rst +++ b/docs/source/tutorials/index.rst @@ -1,12 +1,14 @@ Tutorials ============================================= -Introductory tutorials for each sub-command can be found below in text and/or video format. +Introductory tutorials for sub-commands can be found below in text and/or video format. All videos can be also found on the `SPAAM Community Youtube channel `_. All tutorials assume you have already installed AMDirT following the installation instructions (:doc:`/README`). +Note that tutorials currently exist for user-facing commands, sub-commands such as `validate` and `autofill` are generally executed by users. For these please see the respective (:doc:`/how_to/index`) page. + .. toctree:: :maxdepth: 1 :caption: Tutorials: diff --git a/tests/data/libraries_schema.json b/tests/data/libraries_schema.json index 702618a..b23768d 100644 --- a/tests/data/libraries_schema.json +++ b/tests/data/libraries_schema.json @@ -38,13 +38,9 @@ "$id": "#/items/properties/project_name", "type": "string", "title": "AncientMetagenomeDir key of the publication", - "description": "Format: surnameYYYY (if duplicate key but different publication, add b,c,d etc. as necessary). Must match a AncientMetagenomeDir samples table entry", + "description": "Format: surnameYYYY (if duplicate key but different publication, add b,c,d etc. as necessary). Must match an AncientMetagenomeDir samples table entry", "pattern": "^[a-zA-Z]+\\d{4}[b-z]?$", - "examples": [ - "Warinner2014", - "Muhlemann2018", - "Muhlemann2018a" - ] + "examples": ["Warinner2014", "Muhlemann2018", "Muhlemann2018a"] }, "publication_year": { "$id": "#/items/properties/publication_year", @@ -53,28 +49,22 @@ "maximum": 2100, "title": "Year of publication", "description": "Format: YYYY", - "examples": [ - 2014 - ] + "examples": [2014] }, "publication_doi": { "$id": "#/items/properties/publication_doi", "type": "string", "pattern": "^10.\\d{4,9}\\/[^,]+$", "title": "Digital Object Identifier (DOI) of the publication.", - "description": "A valid DOI code (not as an URL). Must match a AncientMetagenomeDir samples table entry", - "examples": [ - "10.1038/ng.2906" - ] + "description": "A valid DOI code (not as an URL). Must match an AncientMetagenomeDir samples table entry", + "examples": ["10.1038/ng.2906"] }, "sample_name": { "$id": "#/items/properties/sample_name", "type": "string", "title": "Name of the sample", - "description": "In most cases this should be the name of the host individual. Must match a AncientMetagenomeDir samples table entry", - "examples": [ - "B61" - ] + "description": "In most cases this should be the name of the host individual. Must match an AncientMetagenomeDir samples table entry", + "examples": ["B61"] }, "archive": { "$id": "#/items/properties/archive", @@ -82,29 +72,22 @@ "title": "Archiving platform", "description": "Name of the nucleotide data archiving platform", "$ref": "https://spaam-community.github.io/AncientMetagenomeDir/assets/enums/archive.json", - "examples": [ - "ENA" - ] + "examples": ["ENA"] }, "archive_project": { "$id": "#/items/properties/archive_project", "type": "string", "title": "Archive project accession platform", - "description": "Name of the nucleotide data archiving platform. Must match a AncientMetagenomeDir samples table entry", - "examples": [ - "PRJNA438985", - "mgp13354" - ] + "description": "Name of the nucleotide data archiving platform. Must match an AncientMetagenomeDir samples table entry", + "examples": ["PRJNA438985", "mgp13354"] }, "archive_sample_accession": { "$id": "#/items/properties/archive_sample_accession", "type": "string", "pattern": "^[\\S]+$", "title": "Archive accession number", - "description": "Samples archive accession numbers, multiple records can be separated with commas. No spaces allowed. . Must match a AncientMetagenomeDir samples table entry", - "examples": [ - "SRS473742,SRS473743,SRS473744,SRS473745" - ] + "description": "Samples archive accession numbers, multiple records can be separated with commas. No spaces allowed. . Must match an AncientMetagenomeDir samples table entry", + "examples": ["SRS473742,SRS473743,SRS473744,SRS473745"] }, "library_name": { "$id": "#/items/properties/library_name", @@ -112,11 +95,7 @@ "pattern": "^[\\S]+$", "title": "Name of the sequencing library", "description": "Name of the sequencing library generated from the sample. Typically matches the corresponding FASTQ file name", - "examples": [ - "ElSidron1_12056", - "DRT001.A0301", - "L1" - ] + "examples": ["ElSidron1_12056", "DRT001.A0301", "L1"] }, "strand_type": { "$id": "#/items/properties/strand_type", @@ -125,10 +104,7 @@ "title": "Strandedness of library", "description": "Strandedness of the DNA in the library, i.e. whether single or double stranded.", "$ref": "https://spaam-community.github.io/AncientMetagenomeDir/assets/enums/strand_type.json", - "examples": [ - "single", - "double" - ] + "examples": ["single", "double"] }, "library_polymerase": { "$id": "#/items/properties/library_polymerase", @@ -145,36 +121,20 @@ }, "library_treatment": { "$id": "#/items/properties/library_treatment", - "type": [ - "string", - "null" - ], + "type": ["string", "null"], "pattern": "^[\\S]+$", "title": "Name of damage-removal treatment", "description": "Name of any established damage-removal treatment that may have been performed.", "$ref": "https://spaam-community.github.io/AncientMetagenomeDir/assets/enums/library_treatment.json", - "examples": [ - "none", - "half-udg", - "full-udg" - ] + "examples": ["none", "half-udg", "full-udg"] }, "library_concentration": { "$id": "#/items/properties/library_concentration", - "type": [ - "integer", - "null" - ], + "type": ["integer", "null"], "minimum": 0, "title": "Number of pre-amplification DNA copies of library per microlitre", "description": "Number of pre-amplification DNA copies of library per microlitre as measured by qPCR. Can be used for contamination estimation against blanks", - "examples": [ - "NA", - 0, - 9064000, - 15730000, - 1331500000 - ] + "examples": ["NA", 0, 9064000, 15730000, 1331500000] }, "instrument_model": { "$id": "#/items/properties/instrument_model", @@ -196,10 +156,7 @@ "title": "Sequencing layout of library", "description": "Sequencing layout of library, i.e. either single or paired end, based on ENA controlled vocabulary (https://www.ebi.ac.uk/ena/portal/api/controlledVocab?field=library_layout", "$ref": "https://spaam-community.github.io/AncientMetagenomeDir/assets/enums/library_layout.json", - "examples": [ - "PAIRED", - "SINGLE" - ] + "examples": ["PAIRED", "SINGLE"] }, "library_strategy": { "$id": "#/items/properties/library_strategy", @@ -207,27 +164,14 @@ "title": "Type of sequencing library", "description": "Type of sequencing library. Whether shotgun sequenced (WGS) or enriched using 'Target-Capture' protocols and similar.", "$ref": "https://spaam-community.github.io/AncientMetagenomeDir/assets/enums/library_strategy.json", - "examples": [ - "WGS", - "Target-Capture", - "depletion", - "Unknown" - ] + "examples": ["WGS", "Target-Capture", "depletion", "Unknown"] }, "read_count": { "$id": "#/items/properties/read_count", - "type": [ - "integer", - "null" - ], + "type": ["integer", "null"], "title": "Number of reads or pairs in library", "description": "Number of reads or pairs in library, i.e. how deep sequenced. For paired end, count pairs (should be same number for both directions)", - "examples": [ - "NA", - 10000, - 6900000, - 123982 - ] + "examples": ["NA", 10000, 6900000, 123982] }, "archive_data_accession": { "$id": "#/items/properties/archive_data_accession", @@ -235,12 +179,7 @@ "pattern": "^[\\S]+$", "title": "Archive run accession number", "description": "Run archive accession numbers, single run accession per line. TODO: improve regex", - "examples": [ - "SRR13263119", - "SRR13263120", - "ERR3003613", - "ERR3003661" - ] + "examples": ["SRR13263119", "SRR13263120", "ERR3003613", "ERR3003661"] }, "download_links": { "$id": "#/items/properties/download_links", @@ -266,18 +205,12 @@ }, "download_sizes": { "$id": "#/items/properties/download_sizes", - "type": [ - "string", - "null" - ], + "type": ["string", "null"], "pattern": "^[0-9]+;[0-9]+;[0-9]+$|^[0-9]+;[0-9]+$|^[0-9]+$", "title": "File sizes of downloads", "description": "File sizes of corresponding download files in bytes, to allow calculation of HDD usage. Can be semi-colon separated list for paired end. TODO: improve regex", - "examples": [ - "126181389", - "614385694;622383780" - ] + "examples": ["126181389", "614385694;622383780"] } } } -} \ No newline at end of file +} From 6a988610bf31d34209aff268ac8d695be4a35378 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 28 Mar 2024 14:28:41 +0000 Subject: [PATCH 57/69] Start convert tutorial text --- docs/source/tutorials/convert.md | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/docs/source/tutorials/convert.md b/docs/source/tutorials/convert.md index 81dea33..05bc918 100644 --- a/docs/source/tutorials/convert.md +++ b/docs/source/tutorials/convert.md @@ -1 +1,14 @@ # convert + +On this page we provide a brief tutorial on how you can use the AMDirT command-line-interface (CLI) of the `convert` command. + +This tutorial assumes you are on a UNIX based operating system and has internet access. + +## Data + +We will take use one of the previous releases of AncientMetagenomeDir as an example dataset. You can download the dataset from the following link. + +```bash +curl https://github.com/SPAAM-community/AncientMetagenomeDir/releases/download/v23.09.0/AncientMetagenomeDir_v23.09.0.zip -o AncientMetagenomeDir-v23.09.0.zip +`` +``` From 2879c64ea40710718f5eededebd519e7f0529735 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 28 Mar 2024 15:40:43 +0000 Subject: [PATCH 58/69] Add a convert tutorial --- docs/source/tutorials/convert.md | 86 ++++++++++++++++++++++++++++++-- 1 file changed, 83 insertions(+), 3 deletions(-) diff --git a/docs/source/tutorials/convert.md b/docs/source/tutorials/convert.md index 05bc918..80dc270 100644 --- a/docs/source/tutorials/convert.md +++ b/docs/source/tutorials/convert.md @@ -2,13 +2,93 @@ On this page we provide a brief tutorial on how you can use the AMDirT command-line-interface (CLI) of the `convert` command. -This tutorial assumes you are on a UNIX based operating system and has internet access. +This tutorial assumes you are on a UNIX based operating system and has internet access. It also assumes you have already installed `AMDirT`. + +We will show how given a pre-filtered samples or libraries table (e.g. via command line tools or in an R session), in much the same way as the graphical-based `GUI` command, you can use the command-line interface to convert the table to various formats such as download scripts or prepared input sample sheets for ancient metagenomic pipelines. + +In this case we will want to download all metagenomic sequencing data of ancient dental calculus samples from Germany, and prepare a sample sheet for the nf-core/eager pipeline. ## Data We will take use one of the previous releases of AncientMetagenomeDir as an example dataset. You can download the dataset from the following link. ```bash -curl https://github.com/SPAAM-community/AncientMetagenomeDir/releases/download/v23.09.0/AncientMetagenomeDir_v23.09.0.zip -o AncientMetagenomeDir-v23.09.0.zip -`` +mkdir amdirt-convert-tutorial +cd amdirt-convert-tutorial +curl -LO https://github.com/SPAAM-community/AncientMetagenomeDir/releases/download/v23.09.0/AncientMetagenomeDir_v23.09.0.zip +unzip AncientMetagenomeDir_v23.09.0.zip +``` + +## Filter a sample metadata table + +Next we can filter the ancient metagenome 'host-associated' sample sheet for all dental calculus tables from Germany. + +```bash +cat ancientmetagenome-hostassociated/samples/ancientmetagenome-hostassociated_samples.tsv | grep -e '^project_name' -e 'dental calculus' | grep -e '^project_name' -e 'Germany' > germany_dentalcalculus.tsv +``` + +> ⚠ _The command above is not robust and is only used for system portability and demonstration purposes. For example the `Germany` string could be in a site name. In practice, you should use more robust filtering methods such more specific `grep` expressions or in R_. + +Now we can use the `convert` command to provide a download script, a nf-core/eager samplesheet, the AncientMetagenomeDir library metadata, and a citations file. + +```bash +AMDirT convert --curl --eager --librarymetadata --bibliography germany_dentalcalculus.tsv ancientmetagenome-hostassociated +``` + +This will create the following files: + +- `AncientMetagenomeDir_bibliography.bib`: A BiBTeX file with the citations of the samples in the filtered table supplied to `convert` +- `AncientMetagenomeDir_curl_download_script.sh`: A curl download script to download all associated FASTQ files of the samples in the filtered table +- `AncientMetagenomeDir_filtered_libraries.tsv`: A AncientMetagenomeDir _library_ metadata table of the samples in the filtered table +- `AncientMetagenomeDir_nf_core_eager_input_table.tsv`: A nf-core/eager input table for the samples and FASTQ files downloaded from the `curl` script in the filtered table + +You could then supply run the `curl` script to download the FASTQ files, and then run the nf-core/eager pipeline with the input table. + +```bash +bash AncientMetagenomeDir_curl_download_script.sh +nextflow run nf-core/eager -profile docker --input AncientMetagenomeDir_nf_core_eager_input_table.tsv <...> +``` + +## Filter a library metadata table + +The `convert` command is not just for sample metadata! You can also use it to filter AncientMetagenomeDir library metadata tables. + +Let's say of the samples we just downloaded, you realised you only wanted to use the libraries that were with sequenced with a paired-end sequencing kit. We can filter the previously downloaded library metadata table in the same manner as above. + +```bash + grep -e '^project_name' -e 'PAIRED' AncientMetagenomeDir_filtered_libraries.tsv > germany_dentalcalculus_libraries_pe.tsv +``` + +> ⚠ _The command above is not robust and is only used for system portability and demonstration purposes. For example the `Germany` string could be in a site name. In practice, you should use more robust filtering methods such more specific `grep` expressions or in R_. + +We can then again use the `convert` command to provide an updated download script, nf-core/eager samplesheet, and an citations file. + +```bash +AMDirT convert --curl --eager --bibliography --libraries germany_dentalcalculus_libraries_pe.tsv germany_dentalcalculus.tsv ancientmetagenome-hostassociated +``` + +> ℹ _It's important to note that you still need a (full or filtered) AncientMetagenomeDir samples sheet even when supplying `--libraries`_. + +Once again you will have similar output as above (minus the libraries metadata table), you can than download in this case just the FASTQ files and run these through nf-core eager: + +- `AncientMetagenomeDir_bibliography.bib`: A BiBTeX file with the citations of the samples in the filtered table supplied to `convert` +- `AncientMetagenomeDir_curl_download_script.sh`: A curl download script to download all associated FASTQ files of the samples in the filtered table +- `AncientMetagenomeDir_nf_core_eager_input_table.tsv`: A nf-core/eager input table for the samples and FASTQ files downloaded from the `curl` script in the filtered table + +You could then supply run the `curl` script to download the FASTQ files, and then run the nf-core/eager pipeline with the input table. + +```bash +bash AncientMetagenomeDir_curl_download_script.sh +nextflow run nf-core/eager -profile docker --input AncientMetagenomeDir_nf_core_eager_input_table.tsv <...> +``` + +## Clean up + +Once you've completed this tutorial, simply leave the `amdirt-convert-tutorial` directory and remove it. + +For example: + +```bash +cd .. +rm -r amdirt-convert-tutorial/ ``` From d2f1d4c0a433ae9b019ae960c71f8ff4e5408f70 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 28 Mar 2024 15:43:27 +0000 Subject: [PATCH 59/69] Index structure --- docs/source/index.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/source/index.rst b/docs/source/index.rst index 5341de5..7e9194a 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -15,9 +15,9 @@ AMDirT is a toolkit for interacting with the AncientMetagenomeDir metadata repos This tool provides ways to explore and download sequencing data for ancient microbial and environmental (meta)genomes, automatically prepare input samplesheets for a range of bioinformatic processing pipelines, and to validate AncientMetagenomeDir submissions. -For more information on installation see: :doc:`README`. For how to use the toolkit (tutorials, how-toes, references) please see the table of contents. +For more information on installation see: :doc:`README`. -__ homepage_ +For how to use the toolkit (tutorials, how-toes, references) please see the table of contents. .. toctree:: :maxdepth: 1 From 5754db54524533aeede7d88546039c6f591a15e1 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 8 Apr 2024 10:43:34 +0200 Subject: [PATCH 60/69] Move hardware requirments to make install page --- README.md | 2 ++ docs/source/how_to/miscellaneous.md | 4 ---- 2 files changed, 2 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index f28495e..b266d06 100644 --- a/README.md +++ b/README.md @@ -14,6 +14,8 @@ For documentation on using the tool, please see [How Tos](https://amdirt.readthe ## Install +AMDirT has been tested on different Unix systems (macOS and Ubuntu) using Intel and AMD chips. If you suspect that AMDirT isn't working properly because you use a different hardware/OS, please open an [issue on GitHub](https://github.com/SPAAM-community/AMDirT/issues). + ### 1. With [pip](https://pip.pypa.io/en/stable/getting-started/) ```bash diff --git a/docs/source/how_to/miscellaneous.md b/docs/source/how_to/miscellaneous.md index fc86843..9c8b0a7 100644 --- a/docs/source/how_to/miscellaneous.md +++ b/docs/source/how_to/miscellaneous.md @@ -71,7 +71,3 @@ The output from `AMDirT viewer`/`convert` will contain a list of accessions in a nextflow pull nf-core/fetchngs nextflow run nf-core/fetchngs --input AncientMetagenomeDir_nf_core_fetchngs_input_table.tsv` ``` - -#### Supported hardware/OS - -AMDirT has been tested on different Unix systems (macOS and Ubuntu) using Intel and AMD chips. If you suspect that AMDirT isn't working properly because you use a different hardware/OS, please open an [issue on GitHub](https://github.com/SPAAM-community/AMDirT/issues). From c29d18673f0c2bd5b7c9de9d9082ec905d47b359 Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 8 Apr 2024 11:13:08 +0200 Subject: [PATCH 61/69] feat: add download subcommand --- AMDirT/cli.py | 43 ++++++++++++++++++++++- AMDirT/core/__init__.py | 30 +++++++++++++++- AMDirT/download/__init__.py | 62 ++++++++++++++++++++++++++++++++++ docs/source/how_to/download.md | 21 ++++++++++++ tests/test_download.py | 10 ++++++ 5 files changed, 164 insertions(+), 2 deletions(-) create mode 100644 AMDirT/download/__init__.py create mode 100644 docs/source/how_to/download.md create mode 100644 tests/test_download.py diff --git a/AMDirT/cli.py b/AMDirT/cli.py index c642a07..d6374fd 100644 --- a/AMDirT/cli.py +++ b/AMDirT/cli.py @@ -4,9 +4,10 @@ from AMDirT.validate import run_validation from AMDirT.viewer import run_app from AMDirT.convert import run_convert -from AMDirT.core import get_json_path +from AMDirT.core import get_json_path, get_amdir_tags, get_latest_tag from AMDirT.autofill import run_autofill from AMDirT.merge import merge_new_df +from AMDirT.download import download as download_amdir from json import load @@ -294,5 +295,45 @@ def merge(ctx, no_args_is_help=True, **kwargs): merge_new_df(**kwargs, **ctx.obj) +@cli.command() +@click.option( + "-t", + "--table", + help="AncientMetagenomeDir table to download", + type=click.Choice(get_table_list()), + default="ancientmetagenome-hostassociated", + show_default=True, +) +@click.option( + "-y", + "--table_type", + help="Type of table to download", + type=click.Choice(["samples", "libraries"]), + default="samples", + show_default=True, +) +@click.option( + "-r", + "--release", + help="Release tag to download", + type=click.Choice(get_amdir_tags()), + default=get_latest_tag(get_amdir_tags()), + show_default=True, +) +@click.option( + "-o", + "--output", + help="Output directory", + type=click.Path(writable=True), + default=".", + show_default=True, +) +def download(no_args_is_help=True, **kwargs): + """\b + Download a table from the AMDirT repository + """ + download_amdir(**kwargs) + + if __name__ == "__main__": cli() diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index 4eb3c3f..43f69d4 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -5,6 +5,7 @@ import pandas as pd import streamlit as st from packaging import version +from packaging.version import InvalidVersion from importlib.resources import files as get_module_dir import os import logging @@ -65,7 +66,34 @@ def get_amdir_tags(): if version.parse(tag["name"]) >= version.parse("v22.09") ] else: - return [] + logger.warning( + "Could not fetch tags from AncientMetagenomeDir. Defaulting to master" + ) + return ["master"] + + +@st.cache_data +def get_latest_tag(tags): + try: + return sorted(tags, key=lambda x: version.Version(x))[-1] + except InvalidVersion: + if "master" in tags: + return "master" + else: + raise InvalidVersion("No valid tags found") + + +def check_allowed_values(ref: list, test: str): + """ + Check if test is in ref + Args: + ref(list): List of allowed values + test(str): value to check + """ + + if test in ref: + return True + return False def get_colour_chemistry(instrument: str) -> int: diff --git a/AMDirT/download/__init__.py b/AMDirT/download/__init__.py new file mode 100644 index 0000000..62baaa6 --- /dev/null +++ b/AMDirT/download/__init__.py @@ -0,0 +1,62 @@ +from AMDirT.core import ( + logger, + get_amdir_tags, + get_remote_resources, + check_allowed_values, +) +import requests + + +def download(table: str, table_type: str, release: str, output: str = ".") -> str: + """ + Download a table from the AMDirT repository. + + Parameters + ---------- + table : str + The table to download. + table_type : str + The type of table to download. Allowed values are ['samples', 'libraries']. + release : str + The release of the table to download. Must be a valid release tag. + output: str + The output directory to save the table. Default is the current directory. + + Returns + ------- + str: + The path to the downloaded table. + + Raises + ------ + ValueError + If an invalid table is provided. + ValueError + If an invalid table type is provided. + ValueError + If an invalid release is provided. + """ + + resources = get_remote_resources() + tags = get_amdir_tags() + if tags != ["master"]: + if check_allowed_values(tags, release) is False: + raise ValueError(f"Invalid release: {release}. Allowed values are {tags}") + + tables = resources["samples"] + if check_allowed_values(tables, table) is False: + raise ValueError(f"Invalid table: {table}. Allowed values are {tables}") + + if check_allowed_values(["samples", "libraries"], table_type) is False: + raise ValueError( + f"Invalid table type: {table_type}. Allowed values are ['samples', 'libraries']" + ) + table_filename = f"{table}_{table_type}_{release}.tsv" + logger.info( + f"Downloading {table} {table_type} table from {release} release, saving to {output}/{table_filename}" + ) + t = requests.get(resources[table_type][table].replace("master", release)) + with open(table_filename, "w") as fh: + fh.write(t.text) + + return table_filename diff --git a/docs/source/how_to/download.md b/docs/source/how_to/download.md new file mode 100644 index 0000000..2f6ea48 --- /dev/null +++ b/docs/source/how_to/download.md @@ -0,0 +1,21 @@ +# download + +## What + +Download a copy of an AncientMetagenomeDir table. + +## When + +This command would be used when you want to download an AncientMetagenomeDir table locally. + +You typically do this if you're planning to use the `convert` command later. + +## How + +```bash +AMDirT download --table ancientsinglegenome-hostassociated --table_type samples -r v23.12.0 -o . +``` + +## Output + +This command will download the `ancientsinglegenome-hostassociated` `sample` table from the `v23.12.0` AncientMetagenomeDir release, and save it locally to `ancientmetagenome-hostassociated_samples_v23.12.0.tsv` diff --git a/tests/test_download.py b/tests/test_download.py new file mode 100644 index 0000000..5923212 --- /dev/null +++ b/tests/test_download.py @@ -0,0 +1,10 @@ +from AMDirT.download import download + + +def test_download(): + table = "ancientmetagenome-hostassociated" + table_type = "samples" + release = "v23.12.0" + + d = download(table, table_type, release, output=".") + assert d == "ancientmetagenome-hostassociated_samples_v23.12.0.tsv" From 90f8462ad4a0fda3b4ae21063e5e15c15e4d41cd Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Mon, 8 Apr 2024 11:20:56 +0200 Subject: [PATCH 62/69] Update AMDirT/core/__init__.py Co-authored-by: James A. Fellows Yates --- AMDirT/core/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/core/__init__.py b/AMDirT/core/__init__.py index 43f69d4..e4545b4 100644 --- a/AMDirT/core/__init__.py +++ b/AMDirT/core/__init__.py @@ -67,7 +67,7 @@ def get_amdir_tags(): ] else: logger.warning( - "Could not fetch tags from AncientMetagenomeDir. Defaulting to master" + "Could not fetch tags from AncientMetagenomeDir. Defaulting to master. Metadata may not yet be officially released." ) return ["master"] From e3b6c7fac2521556b7dca5ff442752cf4730083f Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Mon, 8 Apr 2024 11:21:01 +0200 Subject: [PATCH 63/69] Update AMDirT/download/__init__.py Co-authored-by: James A. Fellows Yates --- AMDirT/download/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/download/__init__.py b/AMDirT/download/__init__.py index 62baaa6..22623ef 100644 --- a/AMDirT/download/__init__.py +++ b/AMDirT/download/__init__.py @@ -14,7 +14,7 @@ def download(table: str, table_type: str, release: str, output: str = ".") -> st Parameters ---------- table : str - The table to download. + The AncientMetagenomeDir table to download. table_type : str The type of table to download. Allowed values are ['samples', 'libraries']. release : str From 960420f18596b1c4da16d9af51a8a663bdf410f9 Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Mon, 8 Apr 2024 11:21:06 +0200 Subject: [PATCH 64/69] Update docs/source/how_to/download.md Co-authored-by: James A. Fellows Yates --- docs/source/how_to/download.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/how_to/download.md b/docs/source/how_to/download.md index 2f6ea48..68e16c2 100644 --- a/docs/source/how_to/download.md +++ b/docs/source/how_to/download.md @@ -18,4 +18,4 @@ AMDirT download --table ancientsinglegenome-hostassociated --table_type samples ## Output -This command will download the `ancientsinglegenome-hostassociated` `sample` table from the `v23.12.0` AncientMetagenomeDir release, and save it locally to `ancientmetagenome-hostassociated_samples_v23.12.0.tsv` +This example command above will download the `ancientsinglegenome-hostassociated` `sample` table from the `v23.12.0` AncientMetagenomeDir release, and save it locally to `ancientmetagenome-hostassociated_samples_v23.12.0.tsv` From c0fc8dc7840319b588a41b3a94777a3c3bd1930c Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 8 Apr 2024 11:28:00 +0200 Subject: [PATCH 65/69] doc: update convert tutorial --- docs/source/tutorials/convert.md | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/docs/source/tutorials/convert.md b/docs/source/tutorials/convert.md index 80dc270..78b8fe7 100644 --- a/docs/source/tutorials/convert.md +++ b/docs/source/tutorials/convert.md @@ -15,8 +15,7 @@ We will take use one of the previous releases of AncientMetagenomeDir as an exam ```bash mkdir amdirt-convert-tutorial cd amdirt-convert-tutorial -curl -LO https://github.com/SPAAM-community/AncientMetagenomeDir/releases/download/v23.09.0/AncientMetagenomeDir_v23.09.0.zip -unzip AncientMetagenomeDir_v23.09.0.zip +AMDirT download --table ancientmetagenome-hostassociated --table_type samples -r v23.09.0 ``` ## Filter a sample metadata table @@ -24,7 +23,7 @@ unzip AncientMetagenomeDir_v23.09.0.zip Next we can filter the ancient metagenome 'host-associated' sample sheet for all dental calculus tables from Germany. ```bash -cat ancientmetagenome-hostassociated/samples/ancientmetagenome-hostassociated_samples.tsv | grep -e '^project_name' -e 'dental calculus' | grep -e '^project_name' -e 'Germany' > germany_dentalcalculus.tsv +cat ancientmetagenome-hostassociated_samples_v23.09.0.tsv | grep -e '^project_name' -e 'dental calculus' | grep -e '^project_name' -e 'Germany' > germany_dentalcalculus.tsv ``` > ⚠ _The command above is not robust and is only used for system portability and demonstration purposes. For example the `Germany` string could be in a site name. In practice, you should use more robust filtering methods such more specific `grep` expressions or in R_. From 1ed1e3d472ce5baedfb2cb454320bd072732f218 Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 8 Apr 2024 11:29:42 +0200 Subject: [PATCH 66/69] chore: version bump --- AMDirT/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/AMDirT/__init__.py b/AMDirT/__init__.py index 5b60188..e4adfb8 100644 --- a/AMDirT/__init__.py +++ b/AMDirT/__init__.py @@ -1 +1 @@ -__version__ = "1.5.0" +__version__ = "1.6.0" From 7a831c5bc776b6c3b4d984a0d6096b8804a14791 Mon Sep 17 00:00:00 2001 From: maxibor Date: Mon, 8 Apr 2024 13:52:53 +0200 Subject: [PATCH 67/69] doc: add download to index --- docs/source/how_to/index.rst | 1 + 1 file changed, 1 insertion(+) diff --git a/docs/source/how_to/index.rst b/docs/source/how_to/index.rst index a6b8970..f8f73d3 100644 --- a/docs/source/how_to/index.rst +++ b/docs/source/how_to/index.rst @@ -11,6 +11,7 @@ All 'How Tos' assume you have already installed AMDirT following the installatio viewer convert + download validate autofill merge From 17ad7e52bef72bdc203022ae938e98ac196e70e3 Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Wed, 26 Jun 2024 12:07:20 +0200 Subject: [PATCH 68/69] dep: pin streamlit max version --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 1db4f0e..1653f52 100644 --- a/setup.py +++ b/setup.py @@ -33,7 +33,7 @@ def get_version(rel_path): "tabulate", "jsonschema", "rich", - "streamlit", + "streamlit<=1.35.0", "streamlit-aggrid", "numpy", "requests", From 68da26a100d0b33fe79393861b027134ef74c50d Mon Sep 17 00:00:00 2001 From: Maxime Borry Date: Wed, 26 Jun 2024 10:14:42 +0000 Subject: [PATCH 69/69] chore: bump version --- .gitpod.yml | 10 ++++++++++ AMDirT/__init__.py | 2 +- AMDirT/viewer/requirements.txt | 2 +- 3 files changed, 12 insertions(+), 2 deletions(-) create mode 100644 .gitpod.yml diff --git a/.gitpod.yml b/.gitpod.yml new file mode 100644 index 0000000..6fba074 --- /dev/null +++ b/.gitpod.yml @@ -0,0 +1,10 @@ +# This configuration file was automatically generated by Gitpod. +# Please adjust to your needs (see https://www.gitpod.io/docs/introduction/learn-gitpod/gitpod-yaml) +# and commit this file to your remote git repository to share the goodness with others. + +# Learn more from ready-to-use templates: https://www.gitpod.io/docs/introduction/getting-started/quickstart + +tasks: + - init: pip install . + + diff --git a/AMDirT/__init__.py b/AMDirT/__init__.py index e4adfb8..f49459c 100644 --- a/AMDirT/__init__.py +++ b/AMDirT/__init__.py @@ -1 +1 @@ -__version__ = "1.6.0" +__version__ = "1.6.1" diff --git a/AMDirT/viewer/requirements.txt b/AMDirT/viewer/requirements.txt index 429d543..24afd00 100644 --- a/AMDirT/viewer/requirements.txt +++ b/AMDirT/viewer/requirements.txt @@ -8,4 +8,4 @@ streamlit watchdog streamlit-aggrid colorlog -amdirt==1.4 +amdirt==1.6.1