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Conda missing dependency (zstandard) #506

Description

@cfoguet

Description of the bug

Trying to run pgsc_calc in conda mode (nextflow run pgscatalog/pgsc_calc -latest -profile test,conda) fails due to missing "optional" dependency zstandard

File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pandas/compat/_optional.py", line 138, in import_optional_dependency
      raise ImportError(msg)
  ImportError: Missing optional dependency 'zstandard'.  Use pip or conda to install zstandard.

Was able to overcome the issue by manually installing "zstandard" to the conda enviroment

Command used and terminal output

nextflow run pgscatalog/pgsc_calc -latest -profile test,conda


Output: 

pgscatalog.calc.cli.aggregate_cli: 2026-07-07 16:34:26 INFO     cineca_22_additive_0.sscore.zst was calculated from good variant sets :)
  pgscatalog.calc.cli.aggregate_cli: 2026-07-07 16:34:26 INFO     Read 1 from cineca_22_additive_1.sscore.vars
  pgscatalog.calc.cli.aggregate_cli: 2026-07-07 16:34:26 INFO     Read 1 from cineca_22_additive_1.scorefile.gz
  pgscatalog.calc.cli.aggregate_cli: 2026-07-07 16:34:26 INFO     cineca_22_additive_1.sscore.zst was calculated from good variant sets :)
  pgscatalog.calc.cli.aggregate_cli: 2026-07-07 16:34:26 INFO     Initialising aggregation with PolygenicScore(sampleset='cineca', path=PosixPath('cineca_22_additive_0.sscore.zst'))
  Traceback (most recent call last):
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pandas/compat/_optional.py", line 135, in import_optional_dependency
      module = importlib.import_module(name)
               ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/importlib/__init__.py", line 90, in import_module
      return _bootstrap._gcd_import(name[level:], package, level)
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    File "<frozen importlib._bootstrap>", line 1387, in _gcd_import
    File "<frozen importlib._bootstrap>", line 1360, in _find_and_load
    File "<frozen importlib._bootstrap>", line 1324, in _find_and_load_unlocked
  ModuleNotFoundError: No module named 'zstandard'
  
  During handling of the above exception, another exception occurred:
  
  Traceback (most recent call last):
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/bin/pgscatalog-aggregate", line 10, in <module>
      sys.exit(run_aggregate())
               ^^^^^^^^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pgscatalog/calc/cli/aggregate_cli.py", line 94, in run_aggregate
      observed_columns.update(set(score.df.columns))
                                  ^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pgscatalog/calc/lib/polygenicscore.py", line 351, in df
      self._df = self.read()
                 ^^^^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pgscatalog/calc/lib/polygenicscore.py", line 382, in read
      df = pd.read_csv(
           ^^^^^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pandas/io/parsers/readers.py", line 1026, in read_csv
      return _read(filepath_or_buffer, kwds)
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pandas/io/parsers/readers.py", line 620, in _read
      parser = TextFileReader(filepath_or_buffer, **kwds)
               ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pandas/io/parsers/readers.py", line 1620, in __init__
      self._engine = self._make_engine(f, self.engine)
                     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pandas/io/parsers/readers.py", line 1880, in _make_engine
      self.handles = get_handle(
                     ^^^^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pandas/io/common.py", line 849, in get_handle
      zstd = import_optional_dependency("zstandard")
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
    File "/home/jupyter/local_files/work/conda/env-afaa80f79ea46ebdea42bfd472478072/lib/python3.12/site-packages/pandas/compat/_optional.py", line 138, in import_optional_dependency
      raise ImportError(msg)
  ImportError: Missing optional dependency 'zstandard'.  Use pip or conda to install zstandard.

Relevant files

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System information

Netxflow version 25.10.2
Running in an AoUs Jupyter Lab instance

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