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QChASM / SEQCROW

Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.
GNU General Public License v3.0
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problems when installing SEQCROW in ChimeraX #10

Closed JanJZhou closed 1 year ago

JanJZhou commented 1 year ago

Describe the bug When I trying to installing SEQCROW, there are always some problems reported

To Reproduce Steps to reproduce the behavior:

  1. Go to ChimeraX
  2. Click on 'Tools'
  3. Click on "More Tools"
  4. Click on "SEQCROW"
  5. Click on "Install"
  6. The problems report

the problems are copyed here Looking in indexes: https://pypi.org/simple, https://cxtoolshed.rbvi.ucsf.edu/pypi/ Processing c:\users\lenovo\downloads\seqcrow-1.6.3-py3-none-any.whl Requirement already satisfied: scipy in d:\chimerax\chimerax\bin\lib\site-packages (from SEQCROW==1.6.3) (1.9.3) Requirement already satisfied: psutil in d:\chimerax\chimerax\bin\lib\site-packages (from SEQCROW==1.6.3) (5.9.4) Requirement already satisfied: ChimeraX-Core=1.2 in d:\chimerax\chimerax\bin\lib\site-packages (from SEQCROW==1.6.3) (1.6.dev202303230759) Could not fetch URL https://pypi.org/simple/basis-set-exchange/: There was a problem confirming the ssl certificate: HTTPSConnectionPool(host='pypi.org', port=443): Max retries exceeded with url: /simple/basis-set-exchange/ (Caused by SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))) - skipping Could not fetch URL https://cxtoolshed.rbvi.ucsf.edu/pypi/basis-set-exchange/: There was a problem confirming the ssl certificate: HTTPSConnectionPool(host='cxtoolshed.rbvi.ucsf.edu', port=443): Max retries exceeded with url: /pypi/basis-set-exchange/ (Caused by SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))) - skipping Could not fetch URL https://pypi.org/simple/pip/: There was a problem confirming the ssl certificate: HTTPSConnectionPool(host='pypi.org', port=443): Max retries exceeded with url: /simple/pip/ (Caused by SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))) - skipping Could not fetch URL https://cxtoolshed.rbvi.ucsf.edu/pypi/pip/: There was a problem confirming the ssl certificate: HTTPSConnectionPool(host='cxtoolshed.rbvi.ucsf.edu', port=443): Max retries exceeded with url: /pypi/pip/ (Caused by SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))) - skipping WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /simple/basis-set-exchange/ WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /simple/basis-set-exchange/ WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /simple/basis-set-exchange/ WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /simple/basis-set-exchange/ WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /simple/basis-set-exchange/ WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /pypi/basis-set-exchange/ WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /pypi/basis-set-exchange/ WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /pypi/basis-set-exchange/ WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /pypi/basis-set-exchange/ WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLEOFError(8, 'EOF occurred in violation of protocol (_ssl.c:1129)'))': /pypi/basis-set-exchange/ ERROR: Could not find a version that satisfies the requirement basis-set-exchange (from seqcrow) (from versions: none) ERROR: No matching distribution found for basis-set-exchange

ajs99778 commented 1 year ago

Thanks for reporting this. I am only able to reproduce this with older versions of ChimeraX. I'm not sure if it's a (now fixed) ChimeraX bug with installing dependencies, or if there's some incompatibility with the basis-set-exchange module's dependencies and other ChimeraX modules. I'd recommend updating ChimeraX to the latest version (1.5 or a 1.6 daily build) and trying again. I'll do some more testing and modify the compatible ChimeraX versions in the next update.

JanJZhou commented 1 year ago

Thanks for reporting this. I am only able to reproduce this with older versions of ChimeraX. I'm not sure if it's a (now fixed) ChimeraX bug with installing dependencies, or if there's some incompatibility with the basis-set-exchange module's dependencies and other ChimeraX modules. I'd recommend updating ChimeraX to the latest version (1.5 or a 1.6 daily build) and trying again. I'll do some more testing and modify the compatible ChimeraX versions in the next update.

Thanks for your help, I have tried another version (1.5) and fixed. :)