philopon / py3-rdkit Goto Github PK
View Code? Open in Web Editor NEWtiny rdkit container
Home Page: https://hub.docker.com/r/philopon/py3-rdkit/
tiny rdkit container
Home Page: https://hub.docker.com/r/philopon/py3-rdkit/
作成していただいたDocker imageからchainer-chemistryに関するDocker imageを作成中です。
https://github.com/yamasakih/chainer-chemistry
作成していただいたDocker imageから構築した仮想環境中でpandasをインストールしようとすると
以下のようなエラーが出てしまいます。
どうやら本来ならあるはずのnumpyのarrayobject.h
などが存在しないようです。
一度numpyをアンインストールし再インストールすると正しくarrayobject.h
などが含まれました。仕様などでなければ訂正していただけると他の方もpandas
などをインストールしやすくなると思います。
よろしくお願いします。
> $ docker run --rm -it philopon/py3-rdkit sh
/ # apk --no-cache --update-cache add gcc g++ python3-dev
その後
/ # pip3 install pandas
<中略>
gcc -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -Os -fomit-frame-pointer -g -Os -fomit-frame-pointer -g -Os -fomit-frame-pointer -g -DTHREAD_STACK_SIZE=0x100000 -fPIC -Ipandas/_libs/src/klib -Ipandas/_libs/src -I/usr/lib/python3.6/site-packages/numpy/core/include -I/usr/include/python3.6m -c pandas/_libs/lib.c -o build/temp.linux-x86_64-3.6/pandas/_libs/lib.o -Wno-unused-function
pandas/_libs/lib.c:526:31: fatal error: numpy/arrayobject.h: No such file or directory
#include "numpy/arrayobject.h"
^
compilation terminated.
error: command 'gcc' failed with exit status 1
numpyを確認するとcoreディレクトリ下にincludeディレクトリが存在しない。
/ # ls /usr/lib/python3.6/site-packages/numpy/core
__init__.py defchararray.py lib operand_flag_tests.cpython-36m-x86_64-linux-gnu.so tests
__pycache__ einsumfunc.py machar.py records.py umath.cpython-36m-x86_64-linux-gnu.so
_dummy.cpython-36m-x86_64-linux-gnu.so fromnumeric.py memmap.py setup.py umath_tests.cpython-36m-x86_64-linux-gnu.so
_internal.py function_base.py multiarray.cpython-36m-x86_64-linux-gnu.so setup_common.py
_methods.py generate_numpy_api.py multiarray_tests.cpython-36m-x86_64-linux-gnu.so shape_base.py
arrayprint.py getlimits.py numeric.py struct_ufunc_test.cpython-36m-x86_64-linux-gnu.so
cversions.py info.py numerictypes.py test_rational.cpython-36m-x86_64-linux-gnu.so
一般的なnumpy
/ # ls /usr/lib/python3.6/site-packages/numpy/core/include/numpy/
__multiarray_api.h _numpyconfig.h halffloat.h ndarraytypes.h npy_3kcompat.h npy_endian.h npy_no_deprecated_api.h old_defines.h ufuncobject.h
__ufunc_api.h arrayobject.h multiarray_api.txt noprefix.h npy_common.h npy_interrupt.h npy_os.h oldnumeric.h utils.h
_neighborhood_iterator_imp.h arrayscalars.h ndarrayobject.h npy_1_7_deprecated_api.h npy_cpu.h npy_math.h numpyconfig.h ufunc_api.txt
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