Astrochem installation error with conda: incompatible SUNDIALS version

[tty1105]

Hi. I have a problem using Astrochem from python. When I import astrochem, it returns ModuleNotFoundError: No module named 'astrochem'.
Actually I have passed everything in make check, and I can run Astrochem in command line using astrochem input.ini.
The version of my python is 3.9.12.
I wonder how to fix it. Thank you!

[smaret]

How did you install it? There are different ways to install Astrochem (see the installation notes), and the solution to solve this problem depends on this.

[tty1105]

I'm sorry I didn't follow the installation notes previously. Now I am installing Astrochem with Conda. When I make, there are some errors:

libtool: compile:  gcc -DHAVE_CONFIG_H -I. -I.. -I//home/hp/anaconda3/envs/astrochem/include -DPKGDATADIR=\"/home/hp/anaconda3/envs/astrochem/share/astrochem\" -Wall -g -O2 -MT solve.lo -MD -MP -MF .deps/solve.Tpo -c solve.c  -fPIC -DPIC -o .libs/solve.o
solve.c: In function 'solver_init':
solve.c:280:28: error: too few arguments to function 'N_VNew_Serial'
  280 |   if (( astrochem_mem->y = N_VNew_Serial (network->n_species)) == NULL)
      |                            ^~~~~~~~~~~~~
In file included from solve.c:33:
//home/hp/anaconda3/envs/astrochem/include/nvector/nvector_serial.h:85:26: note: declared here
   85 | SUNDIALS_EXPORT N_Vector N_VNew_Serial(sunindextype vec_length, SUNContext sunctx);
      |                          ^~~~~~~~~~~~~
solve.c:336:36: error: too few arguments to function 'CVodeCreate'
  336 |   if (((astrochem_mem->cvode_mem = CVodeCreate (CV_BDF)) == NULL)
      |                                    ^~~~~~~~~~~
In file included from solve.c:32:
//home/hp/anaconda3/envs/astrochem/include/cvode/cvode.h:113:23: note: declared here
  113 | SUNDIALS_EXPORT void *CVodeCreate(int lmm, SUNContext sunctx);
      |                       ^~~~~~~~~~~
solve.c:337:31: error: too few arguments to function 'SUNDenseMatrix'
  337 |       || ((astrochem_mem->a = SUNDenseMatrix (network->n_species, network->n_species)) == NULL)
      |                               ^~~~~~~~~~~~~~
In file included from solve.c:34:
//home/hp/anaconda3/envs/astrochem/include/sunmatrix/sunmatrix_dense.h:79:27: note: declared here
   79 | SUNDIALS_EXPORT SUNMatrix SUNDenseMatrix(sunindextype M, sunindextype N, SUNContext sunctx);
      |                           ^~~~~~~~~~~~~~
solve.c:341:32: error: too few arguments to function 'SUNLinSol_Dense'
  341 |       || ((astrochem_mem->ls = SUNLinSol_Dense (astrochem_mem->y, astrochem_mem->a)) == NULL))
      |                                ^~~~~~~~~~~~~~~
In file included from solve.c:38:
//home/hp/anaconda3/envs/astrochem/include/sunlinsol/sunlinsol_dense.h:58:33: note: declared here
   58 | SUNDIALS_EXPORT SUNLinearSolver SUNLinSol_Dense(N_Vector y, SUNMatrix A, SUNContext sunctx);
      |                                 ^~~~~~~~~~~~~~~
make[2]: *** [Makefile:614: solve.lo] Error 1
make[2]: Leaving directory '/home/hp/software/astrochem/src'
make[1]: *** [Makefile:448: all-recursive] Error 1
make[1]: Leaving directory '/home/hp/software/astrochem'
make: *** [Makefile:380: all] Error 2

My gcc version is 9.5.0. Perhaps there are some problems with the version?

[smaret]

This is a known problem with the most recent version of SUNDIALS (see #88). Is there a way to install an older version of SUNDIALS with conda (I'm a not a conda user myself) ? Version 5 should work fine.

[tty1105]

I got it. I just made a little bit modification:
conda create --name astrochem -c conda-forge sundials=5.7.0 python cython numpy matplotlib h5py autoconf automake libtool
i.e. specify the version of sundials.
Actually #88 is also issued by me. I have changed my computer and email address. Last year I didn't install astrochem with conda. So I didn't get the point this time.
Anyway, thank you very much!

[smaret]

You're welcome. I'll update the instructions on the wiki with your tip.