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Updated python version requested from the ci (v2.9) #968

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Updated python version requested from the ci (v2.9) #968

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9dbd4b4
updated python version requested from the ci
Iximiel Aug 2, 2023
7a6920b
limit the cython version in centos7
Iximiel Aug 2, 2023
163da37
forgot to quote
Iximiel Aug 2, 2023
f27bb2e
Merge remote-tracking branch 'upstream/v2.9' into python3_7eol_2_9
Iximiel Aug 2, 2023
2eba92b
set up cython<3 for roky8 adn fedora
Iximiel Aug 2, 2023
53f9a49
forced python3.9 on fedora
Iximiel Aug 2, 2023
99176a8
forced python3.9 on fedora, with no dots
Iximiel Aug 2, 2023
8f3ef75
again update on fedora
Iximiel Aug 2, 2023
19d3e66
corrected a typo
Iximiel Aug 2, 2023
77a1742
removed the versioning from pip
Iximiel Aug 2, 2023
8a71f4f
simpler dokerfile
Iximiel Aug 3, 2023
db9d364
seting up pyp for python 2.9 in fedora container
Iximiel Aug 3, 2023
2a09492
getting mdtraj from pypi (fedora37 docker)
Iximiel Aug 3, 2023
afdb782
reverted fedora37 to the automatic python3
Iximiel Aug 3, 2023
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2 changes: 1 addition & 1 deletion .github/workflows/ci.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -36,7 +36,7 @@ jobs:
- name: Set up Python
uses: actions/setup-python@v4
with:
python-version: 3.7
python-version: 3.9
- name: Set paths
run: |
echo "$HOME/opt/bin" >> $GITHUB_PATH
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2 changes: 1 addition & 1 deletion docker/centos7
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Expand Up @@ -10,7 +10,7 @@ RUN yum -y update \
python3 python3-devel python3-pip \
&& pip3 install pillow==8.3.2 \
&& pip3 install numpy==1.19 \
&& pip3 install cython numpy pandas mdtraj \
&& pip3 install "cython<3" numpy pandas mdtraj \
&& pip3 install "gsd<3" \
&& pip3 install MDAnalysis==1.0.0

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21 changes: 11 additions & 10 deletions docker/fedora37
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Expand Up @@ -3,16 +3,17 @@ FROM fedora:37
# note: at variance with centos7, here we have to explicitly install gcc
# mdtraj 1.9.7 does not compile with python 3.11 unless installed from source
# see https://github.com/mdtraj/mdtraj/issues/1761
RUN yum -y update \
&& yum -y group install "Development Tools" \
&& yum -y install gcc-c++ \
&& yum -y install environment-modules gawk vim wget \
lapack-devel blas-devel zlib-devel gsl-devel fftw-devel openmpi-devel boost-devel \
python3 python3-devel python3-pip \
&& pip3 install numpy \
&& pip3 install cython numpy pandas \
&& pip3 install MDAnalysis \
&& pip3 install git+https://github.com/mdtraj/[email protected]
RUN yum -y update
RUN yum -y group install "Development Tools"
RUN yum -y install gcc-c++
RUN yum -y install environment-modules gawk vim wget lapack-devel blas-devel \
zlib-devel gsl-devel fftw-devel openmpi-devel boost-devel \
python3 python3-devel python3-pip
RUN pip3 install numpy
RUN pip3 install cython
RUN pip3 install pandas
RUN pip3 install MDAnalysis
RUN pip3 install mdtraj

RUN useradd -ms /bin/bash plumed
USER plumed
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2 changes: 1 addition & 1 deletion docker/rocky8
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Expand Up @@ -11,7 +11,7 @@ RUN yum -y update \
python3 python3-devel python3-pip \
&& pip3 install pillow==8.3.2 \
&& pip3 install numpy==1.19 \
&& pip3 install cython numpy pandas mdtraj \
&& pip3 install "cython<3" numpy pandas mdtraj \
&& pip3 install MDAnalysis==1.0.0

RUN useradd -ms /bin/bash plumed
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